Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07OCA
|
|||
| Former ID |
DIB019093
|
|||
| Drug Name |
Cdk1/2 inhibitor III
|
|||
| Synonyms |
Cdk1/2 Inhibitor III; 443798-55-8; CDK 1/2 INHIBITOR; UNII-LFR1253W75; LFR1253W75; 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE; 5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbothioamide; 5-Amino-3-((4-(aminosulfonyl)phenyl)amino)-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carbothioamide; 2wu6; AC1NS9OB; CHEMBL261720; GTPL5946; BDBM6878; SCHEMBL1394721; CTK8E9250; DTXSID60416209; MolPort-044-561-528; HMS3229C16; ZINC12355112; DB07664
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C15H13F2N7O2S2
|
|||
| Canonical SMILES |
C1=CC(=C(C(=C1)F)NC(=S)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F
|
|||
| InChI |
1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
|
|||
| InChIKey |
ARIOBGGRZJITQX-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 443798-47-8
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
8036444, 10319009, 10322501, 11062423, 14807254, 17137116, 17404500, 24277276, 26758399, 39303426, 51856082, 81065877, 85256589, 92765174, 99302653, 99444135, 103567087, 113916310, 131465431, 137184744, 141130627, 160968734, 161003580, 163124162, 163688437, 170481536, 175607462, 178102569, 180371687, 204377878, 227610506, 248917909, 252082209
|
|||
| 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: 5946). | |||
| REF 2 | 1-Acyl-1H-[1,2,4]triazole-3,5-diamine analogues as novel and potent anticancer cyclin-dependent kinase inhibitors: synthesis and evaluation of biological activities. J Med Chem. 2005 Jun 30;48(13):4208-11. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.