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Ligand

NameCHEMBL2419501
Molecular formulaC21H22N4O5S
IUPAC nameethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
Molecular weight442.49
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.8
Synonyms5-Cyano-2-methyl-6-(3-phenylmethanesulfonylaminocarbonyl-azetidin-1-yl)-nicotinic acid ethyl ester
BDBM50439281
SCHEMBL3223721
2-Methyl-5-cyano-6-[3-[(benzylsulfonyl)carbamoyl]-1-azetidinyl]nicotinic acid ethyl ester
5-Cyano-2-methyl-6 (3-phenylmethanesulfonylaminocarbonyl-azetidin-1-yl)-nicotinic acid ethyl ester
[ Show all ]
Inchi KeyAOOWVFPXPVQQGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H,24,26)
PubChem CID15983546
ChEMBLCHEMBL2419501
IUPHARN/A
BindingDB50439281
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
10459P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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