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Ligand

NameCHEMBL2402156
Molecular formulaC21H22F3N5O3S
IUPAC nameethyl 5-cyano-6-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate
Molecular weight481.494
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.9
SynonymsSCHEMBL3927856
BDBM50436929
BLGPKCWUDJSVOF-UHFFFAOYSA-N
ethyl 5-cyano-6-[4-({[2-(2-thienyl)ethyl]amino}carbonyl)piperazin-1-yl]-2-(trifluoromethyl)nicotinate
Inchi KeyBLGPKCWUDJSVOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22F3N5O3S/c1-2-32-19(30)16-12-14(13-25)18(27-17(16)21(22,23)24)28-7-9-29(10-8-28)20(31)26-6-5-15-4-3-11-33-15/h3-4,11-12H,2,5-10H2,1H3,(H,26,31)
PubChem CID24752558
ChEMBLCHEMBL2402156
IUPHARN/A
BindingDB50436929
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
26539P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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