Molecule Details
| InChIKey | KKOSHWJEFBAPQK-IBVKSMDESA-N |
|---|---|
| Compound Name | (2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]-4-phenylpyrrolidine-2-carboxamide |
| Canonical SMILES | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1cnc[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21453 | S1PR1 | Homo sapiens | Human | PF00001 | 6.8 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.7 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.5 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL;BindingDB |