Molecule Details
| InChIKey | ZIIWGJMMDJWIKB-UHFFFAOYSA-N |
|---|---|
| Compound Name | US9493490, Example 13 |
| Canonical SMILES | CC(C)c1c(Oc2ccc(CN)cc2Cl)ccc2c1B(O)OC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.31 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 10.3 | IC50 | BindingDB |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 9.7 | IC50 | ChEMBL;BindingDB |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.4 | IC50 | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.0 | IC50 | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.3 | IC50 | ChEMBL |
| P09211 | GSTP1 | Homo sapiens | Human | PF14497 PF02798 | 7.3 | IC50 | BindingDB |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.2 | IC50 | ChEMBL |