CID16197121

Ligand id: 8579

Name: CID16197121

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 96.03
Molecular weight 437.17
XLogP 6.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4R,5S,6S)-4-(1-benzothiophen-3-yl)-6-ethoxy-5-(3-hydroxypropyl)-N-phenyl-5,6-dihydro-4H-pyran-2-carboxamide
Database Links
ChEMBL Ligand CHEMBL1302410
PubChem CID 16197121
Search Google for chemical match using the InChIKey DPIFUIZFNOZKRB-DFIYOIEZSA-N
Search Google for chemicals with the same backbone DPIFUIZFNOZKRB
Search UniChem for chemical match using the InChIKey DPIFUIZFNOZKRB-DFIYOIEZSA-N
Search UniChem for chemicals with the same backbone DPIFUIZFNOZKRB
Comments
Ras-Converting Enzyme (RCE1) iInhibitor from a confirmatory PubChem BioAssay. This protein is one of of the post-prenylation-processing enzymes that are targets for oncogenesis.