Ligand |
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| Ligand Name: (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide | ||
| HET ID: 7W7 | PubChem: 123132938 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: NC(=N)N1CCC[C@@H](C1)Cc1cccc2c1OCO2 | ||
| Standard InChI: InChI=1S/C14H19N3O2/c15-14(16)17-6-2-3-10(8-17)7-11-4-1-5-12-13(11)19-9-18-12/h1,4-5,10H,2-3,6-9H2,(H3,15,16)/t10-/m1/s1 | ||
| Molecular Formula: C14H19N3O2 | Mol. Weight: 261.31955 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: True | logP: 2.3012 |
| HBD: 2 | HBA: 5 | TPSA: 71.57 |
| #Bonds: 22 | #Rotatable Bonds: 3 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.071428575 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | IC50 : 3900 nM |