Ligand |
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| Ligand Name: 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one | ||
| HET ID: FOW | PubChem: 138393336 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=c1[nH]cnc2c1ccnc2n1ncc(c1)CCN1CCC2(CC1)CCc1c2cccc1 | ||
| Standard InChI: InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32) | ||
| Molecular Formula: C25H26N6O | Mol. Weight: 426.51355 | Heavy Atoms: 32 |
| Charge: 0 | Is Chiral: False | logP: 2.9642 |
| HBD: 1 | HBA: 6 | TPSA: 79.7 |
| #Bonds: 38 | #Rotatable Bonds: 4 | Shape Complexity: 0.36 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Ki : 4 nM |