AGN193109   Click here for help

GtoPdb Ligand ID: 2640

Synonyms: AGN 193109 | AGN-93109
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 37.3
Molecular weight 392.18
XLogP 8.8
No. Lipinski's rules broken 1
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Canonical SMILES Cc1ccc(cc1)C1=CCC(c2c1cc(cc2)C#Cc1ccc(cc1)C(=O)O)(C)C
Isomeric SMILES Cc1ccc(cc1)C1=CCC(c2c1cc(cc2)C#Cc1ccc(cc1)C(=O)O)(C)C
InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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]