AM966   Click here for help

GtoPdb Ligand ID: 2905

Synonyms: AM 966 | AM-966
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 101.66
Molecular weight 490.13
XLogP 6.85
No. Lipinski's rules broken 1
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Canonical SMILES OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C
Isomeric SMILES OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C
InChI InChI=1S/C27H23ClN2O5/c1-16-25(29-27(33)34-17(2)22-5-3-4-6-23(22)28)26(35-30-16)21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-24(31)32/h3-14,17H,15H2,1-2H3,(H,29,33)(H,31,32)/t17-/m1/s1
1. Swaney JS, Chapman C, Correa LD, Stebbins KJ, Broadhead AR, Bain G, Santini AM, Darlington J, King CD, Baccei CS et al.. (2011)
Pharmacokinetic and pharmacodynamic characterization of an oral lysophosphatidic acid type 1 receptor-selective antagonist.
J Pharmacol Exp Ther, 336 (3): 693-700. [PMID:21159750]
2. Swaney JS, Chapman C, Correa LD, Stebbins KJ, Bundey RA, Prodanovich PC, Fagan P, Baccei CS, Santini AM, Hutchinson JH et al.. (2010)
A novel, orally active LPA(1) receptor antagonist inhibits lung fibrosis in the mouse bleomycin model.
Br J Pharmacol, 160 (7): 1699-713. [PMID:20649573]