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Ligand

NameCHEMBL2419495
Molecular formulaC23H24F2N4O5S
IUPAC nameethyl 5-cyano-6-[4-[(2,4-difluorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate
Molecular weight506.525
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.7
SynonymsAHQASDPCJPXGHL-UHFFFAOYSA-N
2-Methyl-5-cyano-6-[4-[(2,4-difluorobenzylsulfonyl)carbamoyl]piperidino]nicotinic acid ethyl ester
BDBM50439272
Ethyl 5-cyano-6-(4-{[(2,4-difluorobenzyl)sulfonyl]carbamoyl}piperidin-1-yl)-2-methylnicotinate
SCHEMBL4736338
Inchi KeyAHQASDPCJPXGHL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24F2N4O5S/c1-3-34-23(31)19-10-17(12-26)21(27-14(19)2)29-8-6-15(7-9-29)22(30)28-35(32,33)13-16-4-5-18(24)11-20(16)25/h4-5,10-11,15H,3,6-9,13H2,1-2H3,(H,28,30)
PubChem CID24968874
ChEMBLCHEMBL2419495
IUPHARN/A
BindingDB50439272
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5797P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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