acitretin

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Ligands
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

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®

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
Search PubMed titles	acitretin
Search PubMed titles/abstracts	acitretin
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.

Comments

Acitretin is a second generation retinoid drug. Acitretin is an active metabolite of etretinate, but may also be reverse metabolised back to etretinate.