trifarotene

Ligand id: 9962

Name: trifarotene

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 70
Molecular weight 459.24
XLogP 7.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid
International Nonproprietary Names
INN number INN
9582 trifarotene
Synonyms
CD5789 | compound 15b [PMID: 29706423]
Comments
Trifarotene (CD5789) is a RARγ-selective agonist that was developed as a topical anti-acne therapeutic [1].
Database Links
ChEMBL Ligand CHEMBL3707313
DrugBank Ligand DB12808
GtoPdb PubChem SID 374883849
PubChem CID 11518241
RCSB PDB Ligand E9T
Search Google for chemical match using the InChIKey MFBCDACCJCDGBA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MFBCDACCJCDGBA
Search PubMed clinical trials trifarotene
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Search UniChem for chemical match using the InChIKey MFBCDACCJCDGBA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MFBCDACCJCDGBA
SynPHARM 85230 (in complex with Retinoic acid receptor-γ)