compound 8e [PMID: 23044371]

Ligand id: 8780

Name: compound 8e [PMID: 23044371]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 81.7
Molecular weight 499.12
XLogP 8.03
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-phenylmethoxybenzoyl)amino]benzoate
Database Links
ChEMBL Ligand CHEMBL2159857
GtoPdb PubChem SID 252827438
PubChem CID 71451488
Search Google for chemical match using the InChIKey CYKYMBAFNWGXGM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CYKYMBAFNWGXGM
Search UniChem for chemical match using the InChIKey CYKYMBAFNWGXGM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CYKYMBAFNWGXGM
Comments
Compound 8e inhibits sentrin/SUMO-specific peptidase 1 (SENP1) [1].