compound 5 [PMID: 21838328]

Ligand id: 8790

Name: compound 5 [PMID: 21838328]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 56.15
Molecular weight 413.21
XLogP 7
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate
Database Links
ChEMBL Ligand CHEMBL1831083
GtoPdb PubChem SID 252827448
PubChem CID 44547183
Search Google for chemical match using the InChIKey GJYCFJGZPVJOKR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GJYCFJGZPVJOKR
Search UniChem for chemical match using the InChIKey GJYCFJGZPVJOKR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GJYCFJGZPVJOKR
Comments
Compound 5 inhibits the activity of the cytochrome P450 enzyme CYP26A1, with selectivity against the other CYPs tested [1].