K-252A(Epi)

Details

• Internal ID: ea72f1a8-1eb0-418f-99b9-63f84d4d3fab
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles
• IUPAC Name: methyl (15S,16S,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
• InChI: InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27-/m1/s1
• InChI Key: KOZFSFOOLUUIGY-BLIZRMSTSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₂₁N₃O₅
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.14812078 g/mol
• Topological Polar Surface Area (TPSA): 94.70 Ų
• XlogP: 2.80

Synonyms

• CHEMBL94678
• k-252a
• Compound K-252a(epi)
• BDBM50118955
• Methyl (15S,16S,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	5 nM	Kd	via Super-PRED
CHEMBL4045	Q13131	AMP-activated protein kinase, alpha-1 subunit	461 nM	Kd	via Super-PRED
CHEMBL2393	P54619	AMP-activated protein kinase, gamma-1 subunit	352 nM	Kd	via Super-PRED
CHEMBL2453	Q9UGJ0	AMP-activated protein kinase, gamma-2 subunit	868 nM	Kd	via Super-PRED
CHEMBL4522	Q9NSY1	BMP-2-inducible protein kinase	90 nM	Kd	via Super-PRED
CHEMBL2276	P45983	c-Jun N-terminal kinase 1	551 nM	Kd	via Super-PRED
CHEMBL4179	P45984	c-Jun N-terminal kinase 2	986 nM	Kd	via Super-PRED
CHEMBL2801	Q13557	CaM kinase II delta	190 nM	Kd	via Super-PRED
CHEMBL3829	Q13555	CaM kinase II gamma	173 nM	Kd	via Super-PRED
CHEMBL301	P24941	Cyclin-dependent kinase 2	101 nM	Kd	via Super-PRED
CHEMBL4442	Q00526	Cyclin-dependent kinase 3	32 nM	Kd	via Super-PRED
CHEMBL331	P11802	Cyclin-dependent kinase 4	14 nM	Kd	via Super-PRED
CHEMBL4036	Q00535	Cyclin-dependent kinase 5	911 nM	Kd	via Super-PRED
CHEMBL2508	Q00534	Cyclin-dependent kinase 6	399 nM	Kd	via Super-PRED
CHEMBL2468	O43293	Death-associated protein kinase 3	360 nM	IC50	via Super-PRED
CHEMBL2964	P36507	Dual specificity mitogen-activated protein kinase kinase 2	474 nM	Kd	via Super-PRED
CHEMBL2171	P52564	Dual specificity mitogen-activated protein kinase kinase 6	88 nM	Kd	via Super-PRED
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	15 nM	Kd	via Super-PRED
CHEMBL3983	P33981	Dual specificity protein kinase TTK	30 nM	Kd	via Super-PRED
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	10 nM	Kd	via Super-PRED
CHEMBL3529	Q14164	Inhibitor of nuclear factor kappa B kinase epsilon subunit	494 nM	Kd	via Super-PRED
CHEMBL5785	P19525	Interferon-induced, double-stranded RNA-activated protein kinase	100 nM	IC50	via Super-PRED
CHEMBL5081	Q9Y616	Interleukin-1 receptor-associated kinase 3	254 nM	Kd	via Super-PRED
CHEMBL3778	Q9NWZ3	Interleukin-1 receptor-associated kinase 4	9 nM	Kd	via Super-PRED
CHEMBL3831	Q7KZI7	MAP/microtubule affinity-regulating kinase 2	704 nM	Kd	via Super-PRED
CHEMBL5754	Q96L34	MAP/microtubule affinity-regulating kinase 4	28 nM	Kd	via Super-PRED
CHEMBL4578	Q14680	Maternal embryonic leucine zipper kinase	83 nM	Kd	via Super-PRED
CHEMBL5198	Q8TD08	Mitogen-activated protein kinase 15	167 nM	Kd	via Super-PRED
CHEMBL2873	Q02779	Mitogen-activated protein kinase kinase kinase 10	45 nM	IC50	via Super-PRED
CHEMBL2708	Q16584	Mitogen-activated protein kinase kinase kinase 11	572 nM; 13 nM	Kd; IC50	via Super-PRED; via Super-PRED
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	182 nM	Kd	via Super-PRED
CHEMBL1163123	O95382	Mitogen-activated protein kinase kinase kinase 6	335 nM	Kd	via Super-PRED
CHEMBL2872	P80192	Mitogen-activated protein kinase kinase kinase 9	22 nM	IC50	via Super-PRED
CHEMBL5749	Q92918	Mitogen-activated protein kinase kinase kinase kinase 1	452 nM	Kd	via Super-PRED
CHEMBL5330	Q12851	Mitogen-activated protein kinase kinase kinase kinase 2	131 nM	Kd	via Super-PRED
CHEMBL6166	O95819	Mitogen-activated protein kinase kinase kinase kinase 4	19 nM	Kd	via Super-PRED
CHEMBL4852	Q9Y4K4	Mitogen-activated protein kinase kinase kinase kinase 5	193 nM	Kd	via Super-PRED
CHEMBL4627	Q32MK0	Myosin light chain kinase	98 nM	Kd	via Super-PRED
CHEMBL2428	Q15746	Myosin light chain kinase, smooth muscle	17 nM	Ki	via Super-PRED
CHEMBL2815	P04629	Nerve growth factor receptor Trk-A	1.2 nM; 2.4 nM; 13 nM	IC50; IC50; IC50	via Super-PRED; via Super-PRED; via Super-PRED
CHEMBL5334	Q13470	Non-receptor tyrosine-protein kinase TNK1	287 nM	Kd	via Super-PRED
CHEMBL2595	O94806	Protein kinase C nu	38 nM	Kd	via Super-PRED
CHEMBL3384	Q16512	Protein kinase N1	264 nM	Kd	via Super-PRED
CHEMBL3032	Q16513	Protein kinase N2	361 nM	Kd	via Super-PRED
CHEMBL5331	Q12866	Proto-oncogene tyrosine-protein kinase MER	41 nM	Kd	via Super-PRED
CHEMBL3125	O75676	Ribosomal protein S6 kinase alpha 4	432 nM	Kd	via Super-PRED
CHEMBL3981	O94804	Serine/threonine-protein kinase 10	481 nM	Kd	via Super-PRED
CHEMBL4722	O14965	Serine/threonine-protein kinase Aurora-A	20 nM	Kd	via Super-PRED
CHEMBL2185	Q96GD4	Serine/threonine-protein kinase Aurora-B	353 nM	Kd	via Super-PRED
CHEMBL5600	P27448	Serine/threonine-protein kinase c-TAK1	384 nM	Kd	via Super-PRED
CHEMBL4630	O14757	Serine/threonine-protein kinase Chk1	122 nM	Kd	via Super-PRED
CHEMBL4900	Q9BZL6	Serine/threonine-protein kinase D2	30 nM	Kd	via Super-PRED
CHEMBL6167	O95835	Serine/threonine-protein kinase LATS1	67 nM	Kd	via Super-PRED
CHEMBL4523432	Q96Q04	Serine/threonine-protein kinase LMTK3	79.43 nM	IC50	via Super-PRED
CHEMBL4598	Q13043	Serine/threonine-protein kinase MST1	29 nM	Kd	via Super-PRED
CHEMBL4708	Q13188	Serine/threonine-protein kinase MST2	43 nM	Kd	via Super-PRED
CHEMBL4849	Q8TDX7	Serine/threonine-protein kinase NEK7	3 nM	Kd	via Super-PRED
CHEMBL4482	O96013	Serine/threonine-protein kinase PAK 4	344 nM	Kd	via Super-PRED
CHEMBL3788	O00444	Serine/threonine-protein kinase PLK4	73 nM	Kd	via Super-PRED
CHEMBL5014	O43353	Serine/threonine-protein kinase RIPK2	526 nM	Kd	via Super-PRED
CHEMBL5699	Q9H0K1	Serine/threonine-protein kinase SIK2	58 nM	Kd	via Super-PRED
CHEMBL5047	Q6PHR2	Serine/threonine-protein kinase ULK3	107 nM	Kd	via Super-PRED
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	19 nM	Kd	via Super-PRED
CHEMBL4105932	Q76MJ5	Serine/threonine-protein kinase/endoribonuclease IRE2	908 nM	Kd	via Super-PRED
CHEMBL4527	Q9UKE5	TRAF2- and NCK-interacting kinase	10 nM	Kd	via Super-PRED
CHEMBL3982	P16591	Tyrosine-protein kinase FER	455 nM	Kd	via Super-PRED
CHEMBL1974	P36888	Tyrosine-protein kinase receptor FLT3	227 nM	Kd	via Super-PRED
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	669 nM	Kd	via Super-PRED
CHEMBL2599	P43405	Tyrosine-protein kinase SYK	545 nM	Kd	via Super-PRED
CHEMBL4105933	Q6ZSR9	Uncharacterized protein FLJ45252	21 nM	Kd	via Super-PRED
CHEMBL279	P35968	Vascular endothelial growth factor receptor 2	19 nM; 43 nM; 43 nM	IC50; IC50; IC50	via Super-PRED; via Super-PRED; via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	99.78%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.52%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.81%	96.09%
CHEMBL4924	Q9UK32	Ribosomal protein S6 kinase alpha 6	96.05%	80.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.52%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.95%	89.00%
CHEMBL5408	Q9UHD2	Serine/threonine-protein kinase TBK1	94.26%	90.48%
CHEMBL2581	P07339	Cathepsin D	92.92%	98.95%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	92.61%	93.03%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	92.40%	89.23%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	91.85%	90.95%
CHEMBL4599	Q07912	Tyrosine kinase non-receptor protein 2	91.28%	94.29%
CHEMBL4355	O14976	Serine/threonine-protein kinase GAK	91.04%	89.32%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	90.38%	85.11%
CHEMBL1868	P17948	Vascular endothelial growth factor receptor 1	90.23%	96.47%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.87%	99.23%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.75%	93.99%
CHEMBL255	P29275	Adenosine A2b receptor	88.49%	98.59%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.00%	94.00%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	87.27%	95.83%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	86.93%	96.00%
CHEMBL5678	P34947	G protein-coupled receptor kinase 5	86.76%	88.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.45%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.44%	86.33%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	85.83%	97.14%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	85.33%	91.07%
CHEMBL5103	Q969S8	Histone deacetylase 10	83.93%	90.08%
CHEMBL299	P17252	Protein kinase C alpha	83.82%	98.03%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	83.79%	92.67%
CHEMBL5314	Q06418	Tyrosine-protein kinase receptor TYRO3	82.29%	96.00%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	82.24%	95.64%
CHEMBL1936	P10721	Stem cell growth factor receptor	82.03%	84.17%
CHEMBL4208	P20618	Proteasome component C5	81.80%	90.00%
CHEMBL3820	P35557	Hexokinase type IV	80.99%	91.96%
CHEMBL2803	P43403	Tyrosine-protein kinase ZAP-70	80.65%	82.50%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.36%	97.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9912410
• LOTUS: LTS0078447
• wikiData: Q75065680