4'-N-methyl-5'-hydroxystaurosporine

Details

• Internal ID: 07d16d4d-8ce7-45cd-ba78-bda0762fb863
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles
• IUPAC Name: (3S,4S,5S)-4-(dimethylamino)-5-hydroxy-3-methoxy-2-methyl-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): CC12C(C(C(C(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)O)N(C)C)OC
• SMILES (Isomeric): CC12[C@H]([C@H]([C@@H](C(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)O)N(C)C)OC
• InChI: InChI=1S/C29H28N4O4/c1-29-26(36-4)24(31(2)3)25(34)28(37-29)32-17-11-7-5-9-14(17)20-21-16(13-30-27(21)35)19-15-10-6-8-12-18(15)33(29)23(19)22(20)32/h5-12,24-26,28,34H,13H2,1-4H3,(H,30,35)/t24-,25-,26-,28?,29?/m0/s1
• InChI Key: NWBZGGZTDXTDIL-CCPQUMGHSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₂₈N₄O₄
• Molecular Weight: 496.60 g/mol
• Exact Mass: 496.21105539 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: 2.70

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2708	Q16584	Mitogen-activated protein kinase kinase kinase 11	99.20%	81.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.99%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.81%	96.09%
CHEMBL2581	P07339	Cathepsin D	98.18%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.87%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.17%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.75%	89.00%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	96.72%	95.64%
CHEMBL4924	Q9UK32	Ribosomal protein S6 kinase alpha 6	96.54%	80.00%
CHEMBL3384	Q16512	Protein kinase N1	96.16%	80.71%
CHEMBL5678	P34947	G protein-coupled receptor kinase 5	96.01%	88.00%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	95.82%	89.23%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	95.65%	85.11%
CHEMBL2801	Q13557	CaM kinase II delta	95.21%	84.49%
CHEMBL4598	Q13043	Serine/threonine-protein kinase MST1	95.06%	96.64%
CHEMBL1868	P17948	Vascular endothelial growth factor receptor 1	94.62%	96.47%
CHEMBL5600	P27448	Serine/threonine-protein kinase c-TAK1	94.53%	88.81%
CHEMBL2815	P04629	Nerve growth factor receptor Trk-A	93.26%	87.16%
CHEMBL5103	Q969S8	Histone deacetylase 10	93.13%	90.08%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	92.55%	95.83%
CHEMBL4630	O14757	Serine/threonine-protein kinase Chk1	92.48%	97.03%
CHEMBL5608	Q16288	NT-3 growth factor receptor	92.24%	95.89%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	92.20%	93.03%
CHEMBL5408	Q9UHD2	Serine/threonine-protein kinase TBK1	92.09%	90.48%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.01%	99.23%
CHEMBL1974	P36888	Tyrosine-protein kinase receptor FLT3	91.83%	91.83%
CHEMBL4599	Q07912	Tyrosine kinase non-receptor protein 2	91.22%	94.29%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	90.42%	91.79%
CHEMBL5314	Q06418	Tyrosine-protein kinase receptor TYRO3	90.23%	96.00%
CHEMBL2964	P36507	Dual specificity mitogen-activated protein kinase kinase 2	90.00%	80.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.48%	94.00%
CHEMBL3820	P35557	Hexokinase type IV	88.94%	91.96%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	88.77%	83.10%
CHEMBL4237	O75582	Ribosomal protein S6 kinase alpha 5	88.72%	91.00%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	88.58%	96.00%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	88.32%	90.95%
CHEMBL4578	Q14680	Maternal embryonic leucine zipper kinase	87.91%	81.58%
CHEMBL2535	P11166	Glucose transporter	87.04%	98.75%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	86.87%	97.14%
CHEMBL3788	O00444	Serine/threonine-protein kinase PLK4	86.75%	83.65%
CHEMBL3192	Q9BY41	Histone deacetylase 8	86.64%	93.99%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	85.34%	96.67%
CHEMBL3310	Q96DB2	Histone deacetylase 11	85.07%	88.56%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	84.32%	91.07%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.04%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.64%	86.33%
CHEMBL255	P29275	Adenosine A2b receptor	82.18%	98.59%
CHEMBL4101	P17612	cAMP-dependent protein kinase alpha-catalytic subunit	82.08%	82.86%
CHEMBL4145	Q9UKV0	Histone deacetylase 9	81.98%	85.49%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	81.51%	96.77%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.27%	93.00%
CHEMBL2803	P43403	Tyrosine-protein kinase ZAP-70	80.49%	82.50%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.24%	97.09%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	80.23%	91.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139584881
• LOTUS: LTS0064096
• wikiData: Q77377444