Molecule Details
| InChIKey | BOPDNMINCZXPFG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-fluoro-5-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole |
| Canonical SMILES | Cn1cc(-c2ccc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)c(F)c2)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14902 | IDO1 | Homo sapiens | Human | PF01231 | 7.7 | IC50 | ChEMBL;BindingDB |
| P48775 | TDO2 | Homo sapiens | Human | PF03301 | 6.8 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |