Molecule Details
| InChIKey | ZCITXZXBLWIHHP-UHFFFAOYSA-N |
|---|---|
| Compound Name | US9493490, Example 4 |
| Canonical SMILES | Cc1c(Oc2ccc(CN)cc2F)ccc2c1B(O)OC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.42 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 8.4 | IC50 | BindingDB |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 8.3 | IC50 | ChEMBL;BindingDB |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.0 | IC50 | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.7 | IC50 | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.6 | IC50 | ChEMBL |
| P09211 | GSTP1 | Homo sapiens | Human | PF14497 PF02798 | 6.5 | IC50 | BindingDB |