A-908292   Click here for help

GtoPdb Ligand ID: 10669

Compound class: Synthetic organic
Comment: Acetyl CoA carboxylase 2 (ACC2) inhibitor, resulting in a reduction of serum glucose and triglyceride levels.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 97.92
Molecular weight 360.11
XLogP 3.25
No. Lipinski's rules broken 0
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Canonical SMILES COC(=O)N[C@H](C#Cc1cnc(s1)Oc1ccc(cc1)OC(C)C)C
Isomeric SMILES COC(=O)N[C@H](C#Cc1cnc(s1)Oc1ccc(cc1)OC(C)C)C
InChI InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m0/s1
1. Waring JF, Yang Y, Healan-Greenberg CH, Adler AL, Dickinson R, McNally T, Wang X, Weitzberg M, Xu X, Lisowski A et al.. (2008)
Gene expression analysis in rats treated with experimental acetyl-coenzyme A carboxylase inhibitors suggests interactions with the peroxisome proliferator-activated receptor alpha pathway.
J Pharmacol Exp Ther, 324 (2): 507-16. [PMID:18025247]