compound 4 [PMID: 16495056]

Ligand id: 8832

Name: compound 4 [PMID: 16495056]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 40.54
Molecular weight 455.28
XLogP 10.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]-1-(4-propylphenyl)butan-1-one
Database Links
ChEMBL Ligand CHEMBL208528
PubChem CID 11641076
Search Google for chemical match using the InChIKey PBIBEWTURATALQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PBIBEWTURATALQ
Search UniChem for chemical match using the InChIKey PBIBEWTURATALQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PBIBEWTURATALQ
Comments
This compound is a terfenadine analogue. It is reported as a useful tool compound (pharmacological inhibitor) for investigating the function of human cytochrome P450 2J2 [1].