DS-8500a   Click here for help

GtoPdb Ligand ID: 10082

Compound class: Synthetic organic
Comment: Orally available, selective GPR119 agonist, upregulates glucagon-like peptide-1 and enhances glucose-dependent insulin secretion and improves glucose homeostasis in type 2 diabetic rats.
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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 11
Topological polar surface area 114.55
Molecular weight 467.19
XLogP 4.07
No. Lipinski's rules broken 0
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Canonical SMILES CCC(c1onc(n1)c1ccc(c(c1)F)C(=O)NC(CO)C)Oc1ccc(cc1)C(=O)C1CC1
Isomeric SMILES CC[C@H](c1onc(n1)c1ccc(c(c1)F)C(=O)N[C@@H](CO)C)Oc1ccc(cc1)C(=O)C1CC1
InChI InChI=1S/C25H26FN3O5/c1-3-21(33-18-9-6-16(7-10-18)22(31)15-4-5-15)25-28-23(29-34-25)17-8-11-19(20(26)12-17)24(32)27-14(2)13-30/h6-12,14-15,21,30H,3-5,13H2,1-2H3,(H,27,32)/t14-,21-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10466 firuglipel
Database Links Click here for help
Specialist databases
GPCRdb Ligand DS-8500a
Other databases
CAS Registry No. 1371591-51-3
GtoPdb PubChem SID 375973269
PubChem CID 56959560
Search Google for chemical match using the InChIKey LRXRIKVDAVVQCP-SPLOXXLWSA-N
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UniChem Compound Search for chemical match using the InChIKey LRXRIKVDAVVQCP-SPLOXXLWSA-N
UniChem Connectivity Search for chemical match using the InChIKey LRXRIKVDAVVQCP-SPLOXXLWSA-N