Molecule Details
| InChIKey | ZJNATVSUTRSLJP-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[1-[3,3-dimethyl-4-(1-oxo-2H-isoquinolin-3-yl)butanoyl]piperidine-4-carbonyl]benzoic acid |
| Canonical SMILES | CC(C)(CC(=O)N1CCC(C(=O)c2ccc(C(=O)O)cc2)CC1)Cc1cc2ccccc2c(=O)[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.36 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 9.6 | IC50 | ChEMBL;BindingDB |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 9.5 | IC50 | ChEMBL;BindingDB |
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 6.0 | IC50 | ChEMBL;BindingDB |