EcoDrugPlus


Trade Names	TEGISON
Synonyms	Acitretin related compound b Etretinate NSC-297936 RO 10-9359 RO-10-9359 RO-109359 Tegison Tigason
Status
Molecule Category	Free-form
ATC	D05BB01
UNII	65M2UDR9AG
EPA CompTox	DTXSID0023036


InChI Key	HQMNCQVAMBCHCO-DJRRULDNSA-N
Smiles	CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C
InChI	InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+

Property Name	Value
Molecular Formula	C23H30O3
Molecular Weight	354.49
AlogP	5.65
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	35.53
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	26.0

Mechanism of Action	Action	Reference
Retinoid receptor agonist	AGONIST	PubMed PubMed

Resources	Reference
ChEBI	4913
ChEMBL	CHEMBL464
DrugCentral	1116
FDA SRS	65M2UDR9AG
Guide to Pharmacology	7599
PubChem	5282375
SureChEMBL	SCHEMBL3123
ZINC	ZINC000003830820

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ETRETINATE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References