Molecule Details
| InChIKey | OLROWHGDTNFZBH-PBBVDAKRSA-N |
|---|---|
| Compound Name | US9090657, Debio-025, 2 |
| Canonical SMILES | C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)C(C)C(=O)N(CC)C(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.01 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P62937 | PPIA | Homo sapiens | Human | PF00160 | 9.1 | IC50 | ChEMBL;BindingDB |
| O95342 | ABCB11 | Homo sapiens | Human | PF00664 PF00005 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q9NPD5 | SLCO1B3 | Homo sapiens | Human | PF07648 PF03137 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q9Y6L6 | SLCO1B1 | Homo sapiens | Human | PF07648 PF03137 | 6.3 | IC50 | ChEMBL;BindingDB |
| P08183 | ABCB1 | Homo sapiens | Human | PF00664 PF00005 | 6.1 | IC50 | ChEMBL;BindingDB |