Staurosporine

Details

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Internal ID f3952f55-0190-43e1-a9d6-77c4268bf3d3
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles
IUPAC Name (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
InChI Key HKSZLNNOFSGOKW-FYTWVXJKSA-N
Popularity 14,105 references in papers

Physical and Chemical Properties

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Molecular Formula C28H26N4O3
Molecular Weight 466.50 g/mol
Exact Mass 466.20049070 g/mol
Topological Polar Surface Area (TPSA) 69.50 Ų
XlogP 3.20
Atomic LogP (AlogP) 4.35
H-Bond Acceptor 6
H-Bond Donor 2
Rotatable Bonds 2

Synonyms

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Staurosporin
62996-74-1
(+)-Staurosporine
Antibiotic 230
Antibiotic AM 2282
AM-2282
CCRIS 3272
Antibiotic AM-2282
Alkaloid AM-2282 from Streptomyces
(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[e]-as-indacen-14-one
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Staurosporine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
Human Intestinal Absorption + 0.8480 84.80%
Caco-2 - 0.5841 58.41%
Blood Brain Barrier + 0.6500 65.00%
Human oral bioavailability + 0.5143 51.43%
Subcellular localzation Lysosomes 0.6139 61.39%
OATP2B1 inhibitior - 1.0000 100.00%
OATP1B1 inhibitior + 0.8872 88.72%
OATP1B3 inhibitior + 0.9423 94.23%
MATE1 inhibitior - 0.7200 72.00%
OCT2 inhibitior - 0.6609 66.09%
BSEP inhibitior + 0.9744 97.44%
P-glycoprotein inhibitior + 0.8241 82.41%
P-glycoprotein substrate + 0.9344 93.44%
CYP3A4 substrate + 0.7025 70.25%
CYP2C9 substrate - 1.0000 100.00%
CYP2D6 substrate - 0.8146 81.46%
CYP3A4 inhibition - 0.5634 56.34%
CYP2C9 inhibition - 0.6732 67.32%
CYP2C19 inhibition - 0.6896 68.96%
CYP2D6 inhibition - 0.8232 82.32%
CYP1A2 inhibition - 0.5630 56.30%
CYP2C8 inhibition + 0.7592 75.92%
CYP inhibitory promiscuity + 0.5897 58.97%
UGT catelyzed - 0.0000 0.00%
Carcinogenicity (binary) - 0.8900 89.00%
Carcinogenicity (trinary) Non-required 0.6013 60.13%
Eye corrosion - 0.9891 98.91%
Eye irritation - 0.9857 98.57%
Skin irritation - 0.7923 79.23%
Skin corrosion - 0.9398 93.98%
Ames mutagenesis + 0.6446 64.46%
Human Ether-a-go-go-Related Gene inhibition + 0.7734 77.34%
Micronuclear + 0.7800 78.00%
Hepatotoxicity + 0.6322 63.22%
skin sensitisation - 0.8808 88.08%
Respiratory toxicity + 0.8222 82.22%
Reproductive toxicity + 0.9556 95.56%
Mitochondrial toxicity + 0.9125 91.25%
Nephrotoxicity + 0.7137 71.37%
Acute Oral Toxicity (c) III 0.5803 58.03%
Estrogen receptor binding + 0.7803 78.03%
Androgen receptor binding + 0.6627 66.27%
Thyroid receptor binding + 0.6517 65.17%
Glucocorticoid receptor binding + 0.8384 83.84%
Aromatase binding + 0.7134 71.34%
PPAR gamma + 0.7789 77.89%
Honey bee toxicity - 0.6510 65.10%
Biodegradation - 0.7750 77.50%
Crustacea aquatic toxicity + 0.5900 59.00%
Fish aquatic toxicity - 0.6600 66.00%

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL2534 O15530 3-phosphoinositide dependent protein kinase-1 1.7 nM
Kd
via Super-PRED
CHEMBL5903 Q04771 Activin receptor type-1 470 nM
Kd
via Super-PRED
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 1.2 nM
Kd
via Super-PRED
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 0.67 nM
IC50
via Super-PRED
CHEMBL4045 Q13131 AMP-activated protein kinase, alpha-1 subunit 3.7 nM
Kd
via Super-PRED
CHEMBL2116 P54646 AMP-activated protein kinase, alpha-2 subunit 12 nM
Kd
via Super-PRED
CHEMBL5547 Q8NFD2 Ankyrin repeat and protein kinase domain-containing protein 1 270 nM
Kd
via Super-PRED
CHEMBL2096618 P11274 Bcr/Abl fusion protein 121.8 nM
IC50
via Super-PRED
CHEMBL4522 Q9NSY1 BMP-2-inducible protein kinase 3.7 nM
Kd
via Super-PRED
CHEMBL5650 Q8TDC3 BR serine/threonine-protein kinase 1 0.856 nM
IC50
via Super-PRED
CHEMBL2276 P45983 c-Jun N-terminal kinase 1 220 nM
Kd
via Super-PRED
CHEMBL2637 P53779 c-Jun N-terminal kinase 3 110 nM
Kd
via Super-PRED
CHEMBL2493 Q14012 CaM kinase I alpha 3.02 nM
IC50
via Super-PRED
CHEMBL5073 Q8IU85 CaM kinase I delta 0.298 nM
IC50
via Super-PRED
CHEMBL5258 Q96NX5 CaM kinase I gamma 5.34 nM
IC50
via Super-PRED
CHEMBL4147 Q9UQM7 CaM kinase II alpha 0.0635 nM
IC50
via Super-PRED
CHEMBL4121 Q13554 CaM kinase II beta 0.07 nM
IC50
via Super-PRED
CHEMBL2801 Q13557 CaM kinase II delta 0.0311 nM
IC50
via Super-PRED
CHEMBL3829 Q13555 CaM kinase II gamma 0.387 nM
IC50
via Super-PRED
CHEMBL2494 Q16566 CaM kinase IV 41 nM
Kd
via Super-PRED
CHEMBL5256 Q8N5S9 CaM-kinase kinase alpha 0.039 nM
Kd
via Super-PRED
CHEMBL5284 Q96RR4 CaM-kinase kinase beta 0.05 nM
Kd
via Super-PRED
CHEMBL4101 P17612 cAMP-dependent protein kinase alpha-catalytic subunit 0.935 nM
IC50
via Super-PRED
CHEMBL4937 P49674 Casein kinase I epsilon 73 nM
Kd
via Super-PRED
CHEMBL2543 P78368 Casein kinase I gamma 2 780 nM
Kd
via Super-PRED
CHEMBL5520 Q8N752 Casein kinase I isoform alpha-like 250 nM
Kd
via Super-PRED
CHEMBL3629 P68400 Casein kinase II alpha 36 nM
Kd
via Super-PRED
CHEMBL4070 P19784 Casein kinase II alpha (prime) 6.5 nM
Kd
via Super-PRED
CHEMBL3038469 P24941 CDK2/Cyclin A 0.4 nM
IC50
via Super-PRED
CHEMBL3038474 P49336 CDK8/Cyclin C 6 nM
IC50
via Super-PRED
CHEMBL2111389 O60563 CDK9/cyclin T1 7 nM
Ki
via Super-PRED
CHEMBL6002 Q9BWU1 Cell division cycle 2-like protein kinase 6 190 nM
Kd
via Super-PRED
CHEMBL5719 P49336 Cell division protein kinase 8 510 nM
Kd
via Super-PRED
CHEMBL308 P06493 Cyclin-dependent kinase 1 0.4 nM
IC50
via Super-PRED
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 2.52 nM
IC50
via Super-PRED
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 1.42 nM
IC50
via Super-PRED
CHEMBL301 P24941 Cyclin-dependent kinase 2 0.1 nM
IC50
via Super-PRED
CHEMBL2094128 P24941 Cyclin-dependent kinase 2/cyclin A 4 nM
Ki
via Super-PRED
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 1.67 nM
IC50
via Super-PRED
CHEMBL4442 Q00526 Cyclin-dependent kinase 3 30 nM
Kd
via Super-PRED
CHEMBL1907601 P11802 Cyclin-dependent kinase 4/cyclin D1 6.6 nM
IC50
via Super-PRED
CHEMBL4036 Q00535 Cyclin-dependent kinase 5 84 nM
Kd
via Super-PRED
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 1.2 nM
IC50
via Super-PRED
CHEMBL3055 P50613 Cyclin-dependent kinase 7 45 nM
Kd
via Super-PRED
CHEMBL3116 P50750 Cyclin-dependent kinase 9 100 nM
Kd
via Super-PRED
CHEMBL2722 P19099 Cytochrome P450 11B2 11 nM
IC50
via Super-PRED
CHEMBL2558 P53355 Death-associated protein kinase 1 1.4 nM
Kd
via Super-PRED
CHEMBL3123 Q9UIK4 Death-associated protein kinase 2 1.6 nM
Kd
via Super-PRED
CHEMBL2468 O43293 Death-associated protein kinase 3 1 nM
Kd
via Super-PRED
CHEMBL5122 Q16832 Discoidin domain-containing receptor 2 1.19 nM
IC50
via Super-PRED
CHEMBL3587 Q02750 Dual specificity mitogen-activated protein kinase kinase 1 2.5 nM
IC50
via Super-PRED
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 28 nM
Kd
via Super-PRED
CHEMBL2171 P52564 Dual specificity mitogen-activated protein kinase kinase 6 3.4 nM
Kd
via Super-PRED
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 5.52 nM
IC50
via Super-PRED
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 9.6 nM
Kd
via Super-PRED
CHEMBL3983 P33981 Dual specificity protein kinase TTK 61 nM
Kd
via Super-PRED
CHEMBL5543 Q9Y463 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 0.967 nM
IC50
via Super-PRED
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 14.2 nM
IC50
via Super-PRED
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 4.93 nM
IC50
via Super-PRED
CHEMBL4376 Q92630 Dual-specificity tyrosine-phosphorylation regulated kinase 2 248 nM
IC50
via Super-PRED
CHEMBL4575 O43781 Dual-specificity tyrosine-phosphorylation regulated kinase 3 34.8 nM
IC50
via Super-PRED
CHEMBL2068 P29317 Ephrin type-A receptor 2 74.5 nM
IC50
via Super-PRED
CHEMBL4526 Q9UF33 Ephrin type-A receptor 6 11.8 nM
IC50
via Super-PRED
CHEMBL5072 P54762 Ephrin type-B receptor 1 60.3 nM
IC50
via Super-PRED
CHEMBL5147 P54760 Ephrin type-B receptor 4 126.4 nM
IC50
via Super-PRED
CHEMBL5319 Q08345 Epithelial discoidin domain-containing receptor 1 4.28 nM
IC50
via Super-PRED
CHEMBL5358 Q9P2K8 Eukaryotic translation initiation factor 2-alpha kinase 4 16 nM
Kd
via Super-PRED
CHEMBL3650 P11362 Fibroblast growth factor receptor 1 3.89 nM
IC50
via Super-PRED
CHEMBL4142 P21802 Fibroblast growth factor receptor 2 1.77 nM
IC50
via Super-PRED
CHEMBL2742 P22607 Fibroblast growth factor receptor 3 9.25 nM
IC50
via Super-PRED
CHEMBL3973 P22455 Fibroblast growth factor receptor 4 107 nM
IC50
via Super-PRED
CHEMBL2695 Q05397 Focal adhesion kinase 1 11 nM
IC50
via Super-PRED
CHEMBL5678 P34947 G protein-coupled receptor kinase 5 73.3 nM
IC50
via Super-PRED
CHEMBL2850 P49840 Glycogen synthase kinase-3 alpha 2.4 nM
IC50
via Super-PRED
CHEMBL262 P49841 Glycogen synthase kinase-3 beta 2.62 nM
IC50
via Super-PRED
CHEMBL3717 P08581 Hepatocyte growth factor receptor 57 nM
107.4 nM
IC50
IC50
via Super-PRED
via Super-PRED
CHEMBL3820 P35557 Hexokinase type IV 0.81 nM
IC50
via Super-PRED
CHEMBL4576 Q9H2X6 Homeodomain-interacting protein kinase 2 585 nM
IC50
via Super-PRED
CHEMBL1075167 Q8NE63 Homeodomain-interacting protein kinase 4 314 nM
IC50
via Super-PRED
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 39 nM
IC50
via Super-PRED
CHEMBL1991 O14920 Inhibitor of nuclear factor kappa B kinase beta subunit 0.9 nM
IC50
via Super-PRED
CHEMBL3529 Q14164 Inhibitor of nuclear factor kappa B kinase epsilon subunit 0.439 nM
IC50
via Super-PRED
CHEMBL1981 P06213 Insulin receptor 14.73 nM
36.35 nM
IC50
IC50
via Super-PRED
via Super-PRED
CHEMBL5483 P14616 Insulin receptor-related protein 15 nM
IC50
via Super-PRED
CHEMBL1957 P08069 Insulin-like growth factor I receptor 43.3 nM
71.53 nM
IC50
IC50
via Super-PRED
via Super-PRED
CHEMBL5785 P19525 Interferon-induced, double-stranded RNA-activated protein kinase 100 nM
IC50
via Super-PRED
CHEMBL3357 P51617 Interleukin-1 receptor-associated kinase 1 59.3 nM
IC50
via Super-PRED
CHEMBL5081 Q9Y616 Interleukin-1 receptor-associated kinase 3 13 nM
Kd
via Super-PRED
CHEMBL3778 Q9NWZ3 Interleukin-1 receptor-associated kinase 4 4.21 nM
IC50
via Super-PRED
CHEMBL1075104 Q5S007 Leucine-rich repeat serine/threonine-protein kinase 2 1 nM
IC50
via Super-PRED
CHEMBL5627 P29376 Leukocyte tyrosine kinase receptor 3.6 nM
IC50
via Super-PRED
CHEMBL3836 P53667 LIM domain kinase 1 2.44 nM
IC50
via Super-PRED
CHEMBL5932 P53671 LIM domain kinase 2 102 nM
IC50
via Super-PRED
CHEMBL5575 Q15046 Lysyl-tRNA synthetase 0.86 nM
IC50
via Super-PRED
CHEMBL1844 P07333 Macrophage colony stimulating factor receptor 1.14 nM
IC50
via Super-PRED
CHEMBL260 Q16539 MAP kinase p38 alpha 10.5 nM
IC50
via Super-PRED
CHEMBL4204 Q9HBH9 MAP kinase signal-integrating kinase 2 17 nM
Kd
via Super-PRED
CHEMBL2208 P49137 MAP kinase-activated protein kinase 2 110 nM
IC50
via Super-PRED
CHEMBL3094 Q8IW41 MAP kinase-activated protein kinase 5 295 nM
IC50
via Super-PRED
CHEMBL4718 Q9BUB5 MAP kinase-interacting serine/threonine-protein kinase MNK1 52.7 nM
IC50
via Super-PRED
CHEMBL3831 Q7KZI7 MAP/microtubule affinity-regulating kinase 2 0.1 nM
Kd
via Super-PRED
CHEMBL5754 Q96L34 MAP/microtubule affinity-regulating kinase 4 0.114 nM
IC50
via Super-PRED
CHEMBL4578 Q14680 Maternal embryonic leucine zipper kinase 0.542 nM
IC50
via Super-PRED
CHEMBL5518 Q8N4C8 Misshapen-like kinase 1 0.451 nM
IC50
via Super-PRED
CHEMBL5198 Q8TD08 Mitogen-activated protein kinase 15 7.3 nM
IC50
via Super-PRED
CHEMBL5332 Q13164 Mitogen-activated protein kinase 7 121.6 nM
IC50
via Super-PRED
CHEMBL2873 Q02779 Mitogen-activated protein kinase kinase kinase 10 2.69 nM
IC50
via Super-PRED
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 4 nM
IC50
via Super-PRED
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 0.69 nM
IC50
via Super-PRED
CHEMBL1163123 O95382 Mitogen-activated protein kinase kinase kinase 6 475 nM
IC50
via Super-PRED
CHEMBL5776 O43318 Mitogen-activated protein kinase kinase kinase 7 43.11 nM
IC50
via Super-PRED
CHEMBL2872 P80192 Mitogen-activated protein kinase kinase kinase 9 1.52 nM
IC50
via Super-PRED
CHEMBL5749 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 4.3 nM
Kd
via Super-PRED
CHEMBL5432 Q8IVH8 Mitogen-activated protein kinase kinase kinase kinase 3 0.0825 nM
IC50
via Super-PRED
CHEMBL6166 O95819 Mitogen-activated protein kinase kinase kinase kinase 4 0.57 nM
IC50
via Super-PRED
CHEMBL4852 Q9Y4K4 Mitogen-activated protein kinase kinase kinase kinase 5 0.309 nM
IC50
via Super-PRED
CHEMBL5684 O15146 Muscle, skeletal receptor tyrosine protein kinase 3.8 nM
IC50
via Super-PRED
CHEMBL4627 Q32MK0 Myosin light chain kinase 129 nM
IC50
via Super-PRED
CHEMBL2777 Q9H1R3 myosin light chain kinase 2 13.9 nM
IC50
via Super-PRED
CHEMBL5426 Q86YV6 Myosin light chain kinase family member 4 52.9 nM
IC50
via Super-PRED
CHEMBL2428 Q15746 Myosin light chain kinase, smooth muscle 15 nM
Kd
via Super-PRED
CHEMBL3062 P11799 Myosin light chain kinase, smooth muscle 140 nM
Kd
via Super-PRED
CHEMBL2815 P04629 Nerve growth factor receptor Trk-A 0.5 nM
IC50
via Super-PRED
CHEMBL4898 Q16620 Neurotrophic tyrosine kinase receptor type 2 0.0636 nM
IC50
via Super-PRED
CHEMBL1293277 O15118 Niemann-Pick C1 protein 501.2 nM
Potency
via Super-PRED
CHEMBL5334 Q13470 Non-receptor tyrosine-protein kinase TNK1 0.584 nM
IC50
via Super-PRED
CHEMBL5608 Q16288 NT-3 growth factor receptor 0.22 nM
IC50
via Super-PRED
CHEMBL5784 O60285 NUAK family SNF1-like kinase 1 1.31 nM
IC50
via Super-PRED
CHEMBL4896 Q96KB5 PDZ-binding kinase 83.9 nM
IC50
via Super-PRED
CHEMBL5667 P78356 Phosphatidylinositol-5-phosphate 4-kinase type-2 beta 77 nM
Kd
via Super-PRED
CHEMBL4004 Q16816 Phosphorylase kinase gamma subunit 1 0.5 nM
Kd
via Super-PRED
CHEMBL2349 P15735 Phosphorylase kinase gamma subunit 2 0.14 nM
Kd
via Super-PRED
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 0.43 nM
IC50
via Super-PRED
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 0.6 nM
IC50
via Super-PRED
CHEMBL299 P17252 Protein kinase C alpha 0.37 nM
IC50
via Super-PRED
CHEMBL3045 P05771 Protein kinase C beta 1.44 nM
IC50
via Super-PRED
CHEMBL2996 Q05655 Protein kinase C delta 0.128 nM
IC50
via Super-PRED
CHEMBL3582 Q02156 Protein kinase C epsilon 0.198 nM
IC50
via Super-PRED
CHEMBL3616 P24723 Protein kinase C eta 0.251 nM
IC50
via Super-PRED
CHEMBL2938 P05129 Protein kinase C gamma 1.43 nM
IC50
via Super-PRED
CHEMBL2598 P41743 Protein kinase C iota 31.6 nM
IC50
via Super-PRED
CHEMBL3863 Q15139 Protein kinase C mu 3.6 nM
IC50
via Super-PRED
CHEMBL2595 O94806 Protein kinase C nu 1.52 nM
IC50
via Super-PRED
CHEMBL3920 Q04759 Protein kinase C theta 1.44 nM
IC50
via Super-PRED
CHEMBL3438 Q05513 Protein kinase C zeta 76.8 nM
IC50
via Super-PRED
CHEMBL3384 Q16512 Protein kinase N1 1 nM
IC50
via Super-PRED
CHEMBL3032 Q16513 Protein kinase N2 1.97 nM
IC50
via Super-PRED
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 3.5 nM
Kd
via Super-PRED
CHEMBL5331 Q12866 Proto-oncogene tyrosine-protein kinase MER 6.4 nM
Kd
via Super-PRED
CHEMBL5568 P08922 Proto-oncogene tyrosine-protein kinase ROS 0.149 nM
IC50
via Super-PRED
CHEMBL1293294 P51151 Ras-related protein Rab-9A 316.2 nM
Potency
via Super-PRED
CHEMBL1824 P04626 Receptor protein-tyrosine kinase erbB-2 34 nM
IC50
via Super-PRED
CHEMBL3009 Q15303 Receptor protein-tyrosine kinase erbB-4 28.3 nM
IC50
via Super-PRED
CHEMBL3231 Q13464 Rho-associated protein kinase 1 0.64 nM
IC50
via Super-PRED
CHEMBL2973 O75116 Rho-associated protein kinase 2 0.933 nM
IC50
via Super-PRED
CHEMBL4501 P23443 Ribosomal protein S6 kinase 1 0.553 nM
IC50
via Super-PRED
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 0.09 nM
IC50
via Super-PRED
CHEMBL3906 Q15349 Ribosomal protein S6 kinase alpha 2 0.227 nM
IC50
via Super-PRED
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 0.124 nM
IC50
via Super-PRED
CHEMBL3125 O75676 Ribosomal protein S6 kinase alpha 4 11.3 nM
IC50
via Super-PRED
CHEMBL4237 O75582 Ribosomal protein S6 kinase alpha 5 1.4 nM
IC50
via Super-PRED
CHEMBL4924 Q9UK32 Ribosomal protein S6 kinase alpha 6 0.159 nM
IC50
via Super-PRED
CHEMBL3981 O94804 Serine/threonine-protein kinase 10 0.03 nM
Kd
via Super-PRED
CHEMBL4525 Q9UEE5 Serine/threonine-protein kinase 17A 14 nM
Kd
via Super-PRED
CHEMBL3980 O94768 Serine/threonine-protein kinase 17B 21 nM
Kd
via Super-PRED
CHEMBL4202 Q9H2G2 Serine/threonine-protein kinase 2 0.02 nM
Kd
via Super-PRED
CHEMBL5082 Q9Y6E0 Serine/threonine-protein kinase 24 3.34 nM
IC50
via Super-PRED
CHEMBL5552 O00506 Serine/threonine-protein kinase 25 1.9 nM
IC50
via Super-PRED
CHEMBL6005 Q9BYT3 Serine/threonine-protein kinase 33 1.8 nM
Kd
via Super-PRED
CHEMBL4851 Q9Y2H1 Serine/threonine-protein kinase 38-like 1.47 nM
IC50
via Super-PRED
CHEMBL4282 P31749 Serine/threonine-protein kinase AKT 1.5 nM
IC50
via Super-PRED
CHEMBL2431 P31751 Serine/threonine-protein kinase AKT2 6.5 nM
IC50
via Super-PRED
CHEMBL4816 Q9Y243 Serine/threonine-protein kinase AKT3 5 nM
IC50
via Super-PRED
CHEMBL4722 O14965 Serine/threonine-protein kinase Aurora-A 0.86 nM
IC50
via Super-PRED
CHEMBL2185 Q96GD4 Serine/threonine-protein kinase Aurora-B 1 nM
IC50
via Super-PRED
CHEMBL3935 Q9UQB9 Serine/threonine-protein kinase Aurora-C 2.42 nM
IC50
via Super-PRED
CHEMBL5145 P15056 Serine/threonine-protein kinase B-raf 4.5 nM
IC50
via Super-PRED
CHEMBL5600 P27448 Serine/threonine-protein kinase c-TAK1 0.438 nM
IC50
via Super-PRED
CHEMBL4630 O14757 Serine/threonine-protein kinase Chk1 0.16 nM
IC50
via Super-PRED
CHEMBL2527 O96017 Serine/threonine-protein kinase Chk2 4.86 nM
IC50
via Super-PRED
CHEMBL4900 Q9BZL6 Serine/threonine-protein kinase D2 1.33 nM
IC50
via Super-PRED
CHEMBL5683 O15075 Serine/threonine-protein kinase DCLK1 110 nM
Kd
via Super-PRED
CHEMBL6123 Q9C098 Serine/threonine-protein kinase DCLK3 17 nM
Kd
via Super-PRED
CHEMBL4355 O14976 Serine/threonine-protein kinase GAK 17 nM
Kd
via Super-PRED
CHEMBL1075163 Q8TF76 Serine/threonine-protein kinase haspin 19 nM
IC50
via Super-PRED
CHEMBL6167 O95835 Serine/threonine-protein kinase LATS1 12.8 nM
IC50
via Super-PRED
CHEMBL5907 Q9NRM7 Serine/threonine-protein kinase LATS2 3.76 nM
IC50
via Super-PRED
CHEMBL4523432 Q96Q04 Serine/threonine-protein kinase LMTK3 0.002399 nM
IC50
via Super-PRED
CHEMBL5052 Q9Y5S2 Serine/threonine-protein kinase MRCK beta 4.75 nM
IC50
via Super-PRED
CHEMBL5615 Q6DT37 Serine/threonine-protein kinase MRCK gamma 0.848 nM
IC50
via Super-PRED
CHEMBL4516 Q5VT25 Serine/threonine-protein kinase MRCK-A 5.35 nM
IC50
via Super-PRED
CHEMBL4598 Q13043 Serine/threonine-protein kinase MST1 0.19 nM
Kd
via Super-PRED
CHEMBL4708 Q13188 Serine/threonine-protein kinase MST2 0.18 nM
Kd
via Super-PRED
CHEMBL5941 Q9P289 Serine/threonine-protein kinase MST4 2.87 nM
IC50
via Super-PRED
CHEMBL3835 P51955 Serine/threonine-protein kinase NEK2 345 nM
IC50
via Super-PRED
CHEMBL5819 P51957 Serine/threonine-protein kinase Nek4 96 nM
IC50
via Super-PRED
CHEMBL2999 O75914 Serine/threonine-protein kinase PAK 3 0.343 nM
IC50
via Super-PRED
CHEMBL4482 O96013 Serine/threonine-protein kinase PAK 4 1 nM
IC50
via Super-PRED
CHEMBL4311 Q9NQU5 Serine/threonine-protein kinase PAK6 0.4 nM
Kd
via Super-PRED
CHEMBL4524 Q9P286 Serine/threonine-protein kinase PAK7 1.2 nM
Kd
via Super-PRED
CHEMBL4597 Q00536 Serine/threonine-protein kinase PCTAIRE-1 24 nM
Kd
via Super-PRED
CHEMBL6162 O94921 Serine/threonine-protein kinase PFTAIRE-1 160 nM
Kd
via Super-PRED
CHEMBL2147 P11309 Serine/threonine-protein kinase PIM1 1.4 nM
Kd
via Super-PRED
CHEMBL4523 Q9P1W9 Serine/threonine-protein kinase PIM2 1.9 nM
Kd
via Super-PRED
CHEMBL5407 Q86V86 Serine/threonine-protein kinase PIM3 0.0885 nM
IC50
via Super-PRED
CHEMBL4897 Q9H4B4 Serine/threonine-protein kinase PLK3 224 nM
IC50
via Super-PRED
CHEMBL3788 O00444 Serine/threonine-protein kinase PLK4 0.75 nM
Kd
via Super-PRED
CHEMBL5818 P51817 Serine/threonine-protein kinase PRKX 1.39 nM
IC50
via Super-PRED
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 850 nM
IC50
via Super-PRED
CHEMBL5975 Q9BRS2 Serine/threonine-protein kinase RIO1 130 nM
Kd
via Super-PRED
CHEMBL5014 O43353 Serine/threonine-protein kinase RIPK2 317 nM
IC50
via Super-PRED
CHEMBL5794 Q9HBY8 Serine/threonine-protein kinase Sgk2 16.5 nM
IC50
via Super-PRED
CHEMBL5699 Q9H0K1 Serine/threonine-protein kinase SIK2 0.37 nM
IC50
via Super-PRED
CHEMBL6149 Q9Y2K2 Serine/threonine-protein kinase SIK3 1.24 nM
IC50
via Super-PRED
CHEMBL4375 Q96SB4 Serine/threonine-protein kinase SRPK1 5.5 nM
Kd
via Super-PRED
CHEMBL5668 P78362 Serine/threonine-protein kinase SRPK2 67 nM
Kd
via Super-PRED
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 1.21 nM
IC50
via Super-PRED
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 2.11 nM
IC50
via Super-PRED
CHEMBL5408 Q9UHD2 Serine/threonine-protein kinase TBK1 2.18 nM
IC50
via Super-PRED
CHEMBL5388 Q9UKI8 Serine/threonine-protein kinase tousled-like 1 21.7 nM
IC50
via Super-PRED
CHEMBL5404 Q86UE8 Serine/threonine-protein kinase tousled-like 2 3.66 nM
IC50
via Super-PRED
CHEMBL5047 Q6PHR2 Serine/threonine-protein kinase ULK3 4.2 nM
IC50
via Super-PRED
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 204 nM
IC50
via Super-PRED
CHEMBL4105932 Q76MJ5 Serine/threonine-protein kinase/endoribonuclease IRE2 65.8 nM
IC50
via Super-PRED
CHEMBL4333 P21453 Sphingosine 1-phosphate receptor Edg-1 662 nM
IC50
via Super-PRED
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 183 nM
IC50
via Super-PRED
CHEMBL1936 P10721 Stem cell growth factor receptor 0.64 nM
Kd
via Super-PRED
CHEMBL1293232 Q16637 Survival motor neuron protein 794.3 nM
Potency
via Super-PRED
CHEMBL4527 Q9UKE5 TRAF2- and NCK-interacting kinase 0.551 nM
IC50
via Super-PRED
CHEMBL4139 P68370 Tubulin alpha-1 chain 770 nM
Kd
via Super-PRED
CHEMBL4599 Q07912 Tyrosine kinase non-receptor protein 2 16 nM
Kd
via Super-PRED
CHEMBL1862 P00519 Tyrosine-protein kinase ABL 27 nM
Kd
via Super-PRED
CHEMBL2250 P51451 Tyrosine-protein kinase BLK 1.07 nM
IC50
via Super-PRED
CHEMBL5251 Q06187 Tyrosine-protein kinase BTK 13.38 nM
IC50
via Super-PRED
CHEMBL4175 P42679 Tyrosine-protein kinase CTK 492 nM
IC50
via Super-PRED
CHEMBL3982 P16591 Tyrosine-protein kinase FER 0.365 nM
IC50
via Super-PRED
CHEMBL5455 P07332 Tyrosine-protein kinase FES 1.52 nM
IC50
via Super-PRED
CHEMBL4454 P09769 Tyrosine-protein kinase FGR 1.15 nM
IC50
via Super-PRED
CHEMBL4223 P42685 Tyrosine-protein kinase FRK 17 nM
IC50
via Super-PRED
CHEMBL1841 P06241 Tyrosine-protein kinase FYN 2.06 nM
IC50
via Super-PRED
CHEMBL3234 P08631 Tyrosine-protein kinase HCK 1.9 nM
IC50
via Super-PRED
CHEMBL2959 Q08881 Tyrosine-protein kinase ITK/TSK 4.02 nM
IC50
via Super-PRED
CHEMBL2835 P23458 Tyrosine-protein kinase JAK1 0.627 nM
IC50
via Super-PRED
CHEMBL2971 O60674 Tyrosine-protein kinase JAK2 0.189 nM
IC50
via Super-PRED
CHEMBL2148 P52333 Tyrosine-protein kinase JAK3 0.1 nM
IC50
via Super-PRED
CHEMBL258 P06239 Tyrosine-protein kinase LCK 1.01 nM
IC50
via Super-PRED
CHEMBL3905 P07948 Tyrosine-protein kinase Lyn 0.473 nM
IC50
via Super-PRED
CHEMBL1974 P36888 Tyrosine-protein kinase receptor FLT3 0.2 nM
IC50
via Super-PRED
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 1.69 nM
2.195 nM
IC50
IC50
via Super-PRED
via Super-PRED
CHEMBL5314 Q06418 Tyrosine-protein kinase receptor TYRO3 2.75 nM
IC50
via Super-PRED
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 3 nM
IC50
via Super-PRED
CHEMBL267 P12931 Tyrosine-protein kinase SRC 2.2 nM
IC50
via Super-PRED
CHEMBL2599 P43405 Tyrosine-protein kinase SYK 0.217 nM
IC50
via Super-PRED
CHEMBL4128 Q02763 Tyrosine-protein kinase TIE-2 50.9 nM
IC50
via Super-PRED
CHEMBL3553 P29597 Tyrosine-protein kinase TYK2 0.205 nM
IC50
via Super-PRED
CHEMBL2073 P07947 Tyrosine-protein kinase YES 2.35 nM
IC50
via Super-PRED
CHEMBL2803 P43403 Tyrosine-protein kinase ZAP-70 1.3 nM
IC50
via Super-PRED
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 5.4 nM
IC50
via Super-PRED
CHEMBL279 P35968 Vascular endothelial growth factor receptor 2 1.2 nM
115 nM
IC50
IC50
via Super-PRED
via Super-PRED
CHEMBL1955 P35916 Vascular endothelial growth factor receptor 3 0.9 nM
IC50
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.95% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.19% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.39% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.24% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.50% 89.00%
CHEMBL2581 P07339 Cathepsin D 93.41% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.16% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.08% 93.99%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 89.43% 97.14%
CHEMBL255 P29275 Adenosine A2b receptor 89.38% 98.59%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 87.93% 92.67%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.30% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.06% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.90% 99.23%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 85.40% 96.39%
CHEMBL222 P23975 Norepinephrine transporter 81.08% 96.06%
CHEMBL5103 Q969S8 Histone deacetylase 10 80.39% 90.08%
CHEMBL4208 P20618 Proteasome component C5 80.11% 90.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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Cross-Links

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PubChem 44259
LOTUS LTS0171945
wikiData Q5957181