Molecule Details
| InChIKey | BCSYLIBZTSVMJI-MRXNPFEDSA-N |
|---|---|
| Compound Name | 3-[1-[(3R)-3-methyl-4-(8-methyl-4-oxo-3H-quinazolin-2-yl)butanoyl]piperidine-4-carbonyl]benzoic acid |
| Canonical SMILES | Cc1cccc2c(=O)[nH]c(C[C@@H](C)CC(=O)N3CCC(C(=O)c4cccc(C(=O)O)c4)CC3)nc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.56 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 8.1 | IC50 | ChEMBL;BindingDB |
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 6.5 | IC50 | ChEMBL;BindingDB |