Molecule Details
| InChIKey | SUKHPNUTRMBUST-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[4-(4-Fluorobenzoyl)piperidin-1-Yl]-N-[(4-Oxo-3,5,7,8-Tetrahydro-4h-Pyrano[4,3-D]pyrimidin-2-Yl)methyl]-N-(Thiophen-2-Ylmethyl)acetamide |
| Canonical SMILES | O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)Cc2cccs2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56704 | WNT3A | Homo sapiens | Human | PF00110 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 8.1 | IC50 | ChEMBL;BindingDB |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 7.8 | IC50 | ChEMBL;BindingDB |
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 6.8 | IC50 | ChEMBL;BindingDB |