ASP8477   

GtoPdb Ligand ID: 10248

Compound class: Synthetic organic
Comment: ASP8477 is a small molecule, orally active inhibitor of the fatty acid amide hydrolase enzymes FAAH and FAAH-2, that is active in vitro and in vivo [1]. Experimental evidence indicates that it produces CNS-driven analgesia.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 71.53
Molecular weight 325.14
XLogP 1.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(C1CCN(CC1)C(=O)Oc1cccnc1)Nc1ccccc1
Isomeric SMILES O=C(C1CCN(CC1)C(=O)Oc1cccnc1)Nc1ccccc1
InChI InChI=1S/C18H19N3O3/c22-17(20-15-5-2-1-3-6-15)14-8-11-21(12-9-14)18(23)24-16-7-4-10-19-13-16/h1-7,10,13-14H,8-9,11-12H2,(H,20,22)
InChI Key PLCMZPFTMOAGOE-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate
Database Links
GtoPdb PubChem SID 381744930
PubChem CID 15950844
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