Ligand id: 1057

Name: GW1100

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 120.98
Molecular weight 520.16
XLogP 6.51
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Briscoe CP, Peat AJ, McKeown SC, Corbett DF, Goetz AS, Littleton TR, McCoy DC, Kenakin TP, Andrews JL, Ammala C et al.. (2006)
Pharmacological regulation of insulin secretion in MIN6 cells through the fatty acid receptor GPR40: identification of agonist and antagonist small molecules.
Br. J. Pharmacol., 148 (5): 619-28. [PMID:16702987]
2. Stoddart LA, Brown AJ, Milligan G. (2007)
Uncovering the pharmacology of the G protein-coupled receptor GPR40: high apparent constitutive activity in guanosine 5'-O-(3-[35S]thio)triphosphate binding studies reflects binding of an endogenous agonist.
Mol. Pharmacol., 71 (4): 994-1005. [PMID:17200419]