Ligand |
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| Ligand Name: N-methyl-1-[4-(1H-pyrazol-1-ylmethyl)phenyl]methanamine | ||
| HET ID: 3VR | PubChem: 18525877 | |
| DrugBank: - | ChEMBL: CHEMBL3581508 | |
| Canonical SMILES: CNCc1ccc(cc1)Cn1cccn1 | ||
| Standard InChI: InChI=1S/C12H15N3/c1-13-9-11-3-5-12(6-4-11)10-15-8-2-7-14-15/h2-8,13H,9-10H2,1H3 | ||
| Molecular Formula: C12H15N3 | Mol. Weight: 201.2676 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: False | logP: 2.0417 |
| HBD: 1 | HBA: 3 | TPSA: 29.85 |
| #Bonds: 16 | #Rotatable Bonds: 4 | Shape Complexity: 0.25 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 11700 nM |