YH18968   Click here for help

GtoPdb Ligand ID: 10137

Synonyms: YH-18968
Compound class: Synthetic organic
Comment: YH18968 is a GPR119 agonist that was developed as a potential therapeutic for treatment of type 2 diabetes mellitus [1]. In rodent models it improves glucose tolerance, increases GLP-1 levels and augments the glucose lowering effects of a DPP4 inhibitor. It is one of the triazolone derivative compounds claimed in Yuhan Corporation's patent WO2014175621A1 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 130.61
Molecular weight 545.23
XLogP 4.12
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1cc(cnc1N1CCN(CC1)c1noc(n1)C(C)C)c1ccc(c(c1)F)n1cnn(c1=O)C1COCC1
Isomeric SMILES N#Cc1cc(cnc1N1CCN(CC1)c1noc(n1)C(C)C)c1ccc(c(c1)F)n1cnn(c1=O)[C@@H]1COCC1
InChI InChI=1S/C27H28FN9O3/c1-17(2)25-32-26(33-40-25)35-8-6-34(7-9-35)24-19(13-29)11-20(14-30-24)18-3-4-23(22(28)12-18)36-16-31-37(27(36)38)21-5-10-39-15-21/h3-4,11-12,14,16-17,21H,5-10,15H2,1-2H3/t21-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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Specialist databases
GPCRdb Ligand YH18968
Other databases
CAS Registry No. 1632498-56-6 (source: Han et al., 2018)
GtoPdb PubChem SID 381118847
PubChem CID 86281591
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