Ligand id: 2807

Name: bexarotene

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 348.21
XLogP 10.78
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Boehm MF, Zhang L, Badea BA, White SK, Mais DE, Berger E, Suto CM, Goldman ME, Heyman RA. (1994)
Synthesis and structure-activity relationships of novel retinoid X receptor-selective retinoids.
J. Med. Chem., 37 (18): 2930-41. [PMID:8071941]
2. Canan Koch SS, Dardashti LJ, Cesario RM, Croston GE, Boehm MF, Heyman RA, Nadzan AM. (1999)
Synthesis of retinoid X receptor-specific ligands that are potent inducers of adipogenesis in 3T3-L1 cells.
J. Med. Chem., 42 (4): 742-50. [PMID:10052980]
3. Marciano DP, Kuruvilla DS, Pascal BD, Griffin PR. (2015)
Identification of Bexarotene as a PPARĪ³ Antagonist with HDX.
PPAR Res, 2015: 254560. [PMID:26451138]
4. Thacher SM, Vasudevan J, Chandraratna RA. (2000)
Therapeutic applications for ligands of retinoid receptors.
Curr. Pharm. Des., 6 (1): 25-58. [PMID:10637371]