URB597   

GtoPdb Ligand ID: 4339

Synonyms: URB 597 | URB-597
Compound class: Synthetic organic
Comment: URB597 is an irreversible inactivator of fatty acid amide hydrolase (FAAH) [1] with activity against FAAH2 [4] .
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 81.42
Molecular weight 338.16
XLogP 4.1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(Oc1cccc(c1)c1cccc(c1)C(=O)N)NC1CCCCC1
Isomeric SMILES O=C(Oc1cccc(c1)c1cccc(c1)C(=O)N)NC1CCCCC1
InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
InChI Key ROFVXGGUISEHAM-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate
Synonyms
URB 597 | URB-597
Database Links
CAS Registry No. 546141-08-6 (source: Scifinder)
ChEMBL Ligand CHEMBL184238
GtoPdb PubChem SID 178101156
PubChem CID 1383884
Search Google for chemical match using the InChIKey ROFVXGGUISEHAM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ROFVXGGUISEHAM
Search UniChem for chemical match using the InChIKey ROFVXGGUISEHAM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ROFVXGGUISEHAM
Wikipedia URB597

Product suppliers

View disclaimer

Tocris
URB 597
Cat. No. 4612