JNJ-38431055   Click here for help

GtoPdb Ligand ID: 5727

Synonyms: APD597 | JNJ38431055
Compound class: Synthetic organic
Comment: JNJ-38431055 is a GPR119 receptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 141.22
Molecular weight 479.18
XLogP 1.87
No. Lipinski's rules broken 0
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Canonical SMILES COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C
Isomeric SMILES COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C
InChI InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
Synonyms Click here for help
APD597 | JNJ38431055
Database Links Click here for help
Specialist databases
GPCRdb Ligand JNJ-38431055
Other databases
ChEMBL Ligand CHEMBL1951032
GtoPdb PubChem SID 178102353
PubChem CID 11691484
Search Google for chemical match using the InChIKey WPDCHTSXOPUOII-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WPDCHTSXOPUOII
UniChem Compound Search for chemical match using the InChIKey WPDCHTSXOPUOII-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WPDCHTSXOPUOII-UHFFFAOYSA-N