Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0IR6U
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| Former ID |
DIB020094
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| Drug Name |
CMP-6
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| Synonyms |
Pyridone 6; 457081-03-7; JAK Inhibitor I; Merck-5; Merck 5; CMP 6; 2-tert-butyl-9-fluoro-3H-benzo[h]imidazo[4,5-f]isoquinolin-7(6H)-one; CHEMBL21156; 2-(1,1-Dimethylethyl)-9-fluoro-3,6-dihydro-7H-benz[h]-imidaz[4,5-f]isoquinolin-7-one; CHEBI:87103; Compound # 2; 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE; 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE; IZA; C18H16FN3O; MERk-5
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C18H16FN3O
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| Canonical SMILES |
CC(C)(C)C1=NC2=C(N1)C3=C(C=C(C=C3)F)C4=C2C=CNC4=O
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| InChI |
1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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| InChIKey |
VNDWQCSOSCCWIP-UHFFFAOYSA-N
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| CAS Number |
CAS 457081-03-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
8149086, 10317686, 10318987, 10318988, 11114603, 14894341, 17422859, 26758981, 26758982, 39475612, 46391336, 46393871, 46505719, 50726742, 53837812, 56464635, 56468342, 57364805, 85261411, 92765175, 93578179, 93578181, 99302706, 99381271, 103186466, 103905610, 121168749, 135324603, 135685342, 135685343, 135685359, 136367880, 137821865, 142592967, 143499791, 144116195, 152234892, 160844988, 160967700, 161003590, 162168883, 162205080, 163124151, 163620792, 163686118, 163687865, 163687866, 163781232, 172096384, 174006716
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| ChEBI ID |
CHEBI:87103
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5992). | |||
| REF 2 | Photochemical preparation of a pyridone containing tetracycle: a Jak protein kinase inhibitor. Bioorg Med Chem Lett. 2002 Apr 22;12(8):1219-23. | |||
| REF 3 | A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20523-8. | |||
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