acitretin

Ligand id: 7598

Name: acitretin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 46.53
Molecular weight 326.19
XLogP 6.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1996))
IUPAC Name
(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
International Nonproprietary Names
INN number INN
5530 acitretin
Synonyms
Ro-101670000
Soriatane®
Database Links
CAS Registry No. 55079-83-9
ChEMBL Ligand CHEMBL1131
DrugBank Ligand DB00459
PubChem CID 5284513
Search Google for chemical match using the InChIKey IHUNBGSDBOWDMA-AQFIFDHZSA-N
Search Google for chemicals with the same backbone IHUNBGSDBOWDMA
Search PubMed clinical trials acitretin
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Wikipedia Acitretin
Comments
Acitretin is a second generation retinoid drug. Acitretin is an active metabolite of etretinate, but may also be reverse metabolised back to etretinate.