Molecule Details
| InChIKey | VWKAKGXPHIJGPD-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(5-(1-(4-(4-Oxo-3,4-dihydroquinazolin-2-yl)butanoyl)piperidin-4-yl)-1,3,4-oxadiazol-2-yl)benzonitrile |
| Canonical SMILES | N#Cc1cccc(-c2nnc(C3CCN(C(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)o2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.63 |
| Source | BindingDB;ChEMBL |
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 | 8.5 | IC50 | BindingDB |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 6.4 | IC50 | ChEMBL;BindingDB |