azalanstat   Click here for help

GtoPdb Ligand ID: 8799

Synonyms: compound 1 [PMID: 8340925] | RS-21607197
Compound class: Synthetic organic
Comment: Azalanstat (as compound 1) is reported as a competitive inhibitor of mammalian lanosterol 14-α-demethylase (CYP51A1) [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 87.6
Molecular weight 429.13
XLogP 4.4
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Nc1ccc(cc1)SCC1COC(O1)(CCc1ccc(cc1)Cl)Cn1ccnc1
Isomeric SMILES Nc1ccc(cc1)SC[C@@H]1CO[C@](O1)(CCc1ccc(cc1)Cl)Cn1ccnc1
InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7373 azalanstat
Synonyms Click here for help
compound 1 [PMID: 8340925] | RS-21607197
Database Links Click here for help
CAS Registry No. 143393-27-5
ChEMBL Ligand CHEMBL70611
GtoPdb PubChem SID 252827457
PubChem CID 60876
Search Google for chemical match using the InChIKey VYNIUBZKEWJOJP-UNMCSNQZSA-N
Search Google for chemicals with the same backbone VYNIUBZKEWJOJP
Search PubMed clinical trials azalanstat
Search PubMed titles azalanstat
Search PubMed titles/abstracts azalanstat
UniChem Compound Search for chemical match using the InChIKey VYNIUBZKEWJOJP-UNMCSNQZSA-N
UniChem Connectivity Search for chemical match using the InChIKey VYNIUBZKEWJOJP-UNMCSNQZSA-N