azalanstat

Ligand id: 8799

Name: azalanstat

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 87.6
Molecular weight 429.13
XLogP 4.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline
International Nonproprietary Names
INN number INN
7373 azalanstat
Synonyms
compound 1 [PMID: 8340925]
RS-21607197
Database Links
CAS Registry No. 143393-27-5
ChEMBL Ligand CHEMBL70611
PubChem CID 60876
Search Google for chemical match using the InChIKey VYNIUBZKEWJOJP-UNMCSNQZSA-N
Search Google for chemicals with the same backbone VYNIUBZKEWJOJP
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Comments
Azalanstat (as compound 1) is reported as a competitive inhibitor of mammalian lanosterol 14-α-demethylase (CYP51A1) [1].