Molecule Details
| InChIKey | YFBRXKLPGVWRRC-UHFFFAOYSA-N |
|---|---|
| Compound Name | [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-[3-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-phenyl]-methanone |
| Canonical SMILES | NCc1ccc(F)c(C2CCN(C(=O)c3cccc(-c4nc(-c5cccs5)no4)c3)CC2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.29 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20231 | TPSB2 | Homo sapiens | Human | PF00089 | 8.4 | Ki | BindingDB |
| Q15661 | TPSAB1 | Homo sapiens | Human | PF00089 | 8.4 | Ki | ChEMBL |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.1 | IC50 | ChEMBL;BindingDB |