Molecule Details
| InChIKey | YOVNFNXUCOWYSG-UHFFFAOYSA-N |
|---|---|
| Compound Name | Gsk-269962A |
| Canonical SMILES | CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 33 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.02 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17030 |
|---|---|
| Drug Name | GSK-269962A |
| CAS Number | 850664-21-0 |
| Groups | experimental |
| ATC Codes | nan |
| Description | GSK-269962A is a Rho kinase (ROCK) inhibitor with both ROCK1 and ROCK2 affinity.[A253012] |
Categories: Oxazoles
Cross-references: BindingDB: 14047 CHEMBL220241 ChemSpider: 17253632 ZINC: ZINC000014954335
Target Activities (33)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.8 | IC50 | ChEMBL;BindingDB |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 8.5 | Ki | ChEMBL |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 8.3 | Ki | ChEMBL |
| Q05513 | PRKCZ | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 7.6 | Ki | ChEMBL |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 7.6 | Ki | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 7.5 | Ki | ChEMBL |
| P41743 | PRKCI | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 7.5 | Ki | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 7.4 | Ki | ChEMBL |
| Q13237 | PRKG2 | Homo sapiens | Human | PF00027 PF00069 | 7.4 | Ki | ChEMBL |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 7.3 | IC50 | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL |
| Q9BXA7 | TSSK1B | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| O00311 | CDC7 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 6.8 | Ki | ChEMBL |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 6.8 | Ki | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| Q9HBY8 | SGK2 | Homo sapiens | Human | PF00069 PF00433 | 6.7 | Ki | ChEMBL |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.6 | Ki | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.5 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.2 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q9H2X6 | HIPK2 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.0 | pIC50 | TTD_MultiTarget |