Ligand |
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| Ligand Name: 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine | ||
| HET ID: H05 | PubChem: 893376 | |
| DrugBank: - | ChEMBL: CHEMBL1603585 | |
| Canonical SMILES: CCCc1nc2ccccc2c2n1nc(n2)N | ||
| Standard InChI: InChI=1S/C12H13N5/c1-2-5-10-14-9-7-4-3-6-8(9)11-15-12(13)16-17(10)11/h3-4,6-7H,2,5H2,1H3,(H2,13,16) | ||
| Molecular Formula: C12H13N5 | Mol. Weight: 227.26512 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 2.3934 |
| HBD: 1 | HBA: 5 | TPSA: 69.1 |
| #Bonds: 19 | #Rotatable Bonds: 2 | Shape Complexity: 0.25 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | Ki : 32200 nM |
| Binding MOAD | Ki : 32400.001953125 nM |