Ligand |
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| Ligand Name: 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one | ||
| HET ID: FQN | PubChem: 138393337 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=c1[nH]cnc2c1ccnc2n1ncc(c1)C1CCNCC1 | ||
| Standard InChI: InChI=1S/C15H16N6O/c22-15-12-3-6-17-14(13(12)18-9-19-15)21-8-11(7-20-21)10-1-4-16-5-2-10/h3,6-10,16H,1-2,4-5H2,(H,18,19,22) | ||
| Molecular Formula: C15H16N6O | Mol. Weight: 296.32715 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: False | logP: 1.2996 |
| HBD: 2 | HBA: 6 | TPSA: 88.49 |
| #Bonds: 26 | #Rotatable Bonds: 2 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | IC50 : 613 nM |