Molecule Details
| InChIKey | GCBXPOHPNDVIFD-HSZRJFAPSA-N |
|---|---|
| Compound Name | 2-{2-[(1-Aminoisoquinolin-6-Yl)carbamoyl]-6-Methoxypyridin-3-Yl}-5-{[(2s)-1-Hydroxy-3,3-Dimethylbutan-2-Yl]carbamoyl}benzoic Acid |
| Canonical SMILES | COc1ccc(-c2ccc(C(=O)N[C@H](CO)C(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc3c(N)nccc3c2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.3 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08709 | F7 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 8.2 | IC50 | ChEMBL;BindingDB |
| P00740 | F9 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.2 | IC50 | ChEMBL |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.6 | IC50 | ChEMBL;BindingDB |