Ligand id: 2640

Name: AGN193109

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 37.3
Molecular weight 392.18
XLogP 12.52
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Klein ES, Pino ME, Johnson AT, Davies PJ, Nagpal S, Thacher SM, Krasinski G, Chandraratna RA. (1996)
Identification and functional separation of retinoic acid receptor neutral antagonists and inverse agonists.
J. Biol. Chem., 271 (37): 22692-6. [PMID:8798442]
2. Klein ES, Wang JW, Khalifa B, Gavigan SA, Chandraratna RA. (2000)
Recruitment of nuclear receptor corepressor and coactivator to the retinoic acid receptor by retinoid ligands. Influence of DNA-heterodimer interactions.
J. Biol. Chem., 275 (25): 19401-8. [PMID:10777502]
3. Thacher SM, Vasudevan J, Chandraratna RA. (2000)
Therapeutic applications for ligands of retinoid receptors.
Curr. Pharm. Des., 6 (1): 25-58. [PMID:10637371]