EcoDrugPlus


Synonyms	Mofarotene RO 40-8757 Ro-408757
Status
Molecule Category	Free-form
UNII	8K3CVY8F8V
EPA CompTox	DTXSID7032006

Synonyms

Mofarotene

RO 40-8757

Ro-408757

Status

Molecule Category

Free-form

UNII

8K3CVY8F8V

EPA CompTox

DTXSID7032006


InChI Key	OUQPTBCOEKUHBH-LSDHQDQOSA-N
Smiles	C/C(=C\c1ccc(OCCN2CCOCC2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChI	InChI=1S/C29H39NO2/c1-22(24-8-11-26-27(21-24)29(4,5)13-12-28(26,2)3)20-23-6-9-25(10-7-23)32-19-16-30-14-17-31-18-15-30/h6-11,20-21H,12-19H2,1-5H3/b22-20+

InChI Key

OUQPTBCOEKUHBH-LSDHQDQOSA-N

Smiles

C/C(=C\c1ccc(OCCN2CCOCC2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

InChI

InChI=1S/C29H39NO2/c1-22(24-8-11-26-27(21-24)29(4,5)13-12-28(26,2)3)20-23-6-9-25(10-7-23)32-19-16-30-14-17-31-18-15-30/h6-11,20-21H,12-19H2,1-5H3/b22-20+

Property Name	Value
Molecular Formula	C29H39NO2
Molecular Weight	433.64
AlogP	6.31
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	21.7
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C29H39NO2

Molecular Weight

433.64

AlogP

6.31

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

21.7

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

32.0

Mechanism of Action	Action	Reference
Retinoid receptor modulator	MODULATOR	DOI

Mechanism of Action

Action

Reference

Retinoid receptor modulator

MODULATOR

DOI

Resources	Reference
ChEMBL	CHEMBL146506
FDA SRS	8K3CVY8F8V
PubChem	5467732
SureChEMBL	SCHEMBL62905

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

MOFAROTENE

Structure

Physicochemical Descriptors

Pharmacology

Cross References