TRIFAROTENE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D10AD06
UNII 0J8RN2W0HK
EPA CompTox DTXSID30237781

Structure

InChI Key MFBCDACCJCDGBA-UHFFFAOYSA-N
Smiles CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1
InChI
InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H33NO4
Molecular Weight 459.59
AlogP 5.99
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 70.0
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Retinoic acid receptor gamma agonist AGONIST FDA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group B Nuclear hormone receptor subfamily 1 group B member 1
500 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group B Nuclear hormone receptor subfamily 1 group B member 2
125 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group B Nuclear hormone receptor subfamily 1 group B member 3
7.7 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
7.7-500 - - - -

Target Conservation

Protein: Retinoic acid receptor gamma
Description: Retinoic acid receptor gamma
Organism : Homo sapiens
P13631 ENSG00000172819

Cross References

Resources Reference
ChEMBL CHEMBL3707313
DrugBank DB12808
DrugCentral 5350
FDA SRS 0J8RN2W0HK
Guide to Pharmacology 9962
PubChem 11518241
SureChEMBL SCHEMBL381493
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