TRIFAROTENE

Search structure
Trade Names:
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D10AD06
UNII: 0J8RN2W0HK

Structure
InChI Key MFBCDACCJCDGBA-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Retinoic acid receptor gamma agonist FDA PubMed
Primary Target
Retinoic acid receptor-γ
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
8 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acne Vulgaris 4 D000152 FDA
Ichthyosis, Lamellar 2 D017490 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 895542-09-3
ChEMBL CHEMBL3707313
DrugBank DB12808
DrugCentral 5350
EPA CompTox DTXSID30237781
FDA SRS 0J8RN2W0HK
Guide to Pharmacology 9962
PubChem 11518241
SureChEMBL SCHEMBL381493
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