Molecule Details
| InChIKey | OCLDJPYPPFDDNO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8-[[4-(3-fluoro-4-nitrophenyl)piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one |
| Canonical SMILES | O=c1[nH]c2cc(CN3CCN(c4ccc([N+](=O)[O-])c(F)c4)CC3)ccc2c2c1CCCN2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.49 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 8.9 | IC50 | ChEMBL;BindingDB |
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 8.3 | IC50 | ChEMBL;BindingDB |