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Ligand

NameCHEMBL1784205
Molecular formulaC20H23ClN4O3
IUPAC nameethyl 5-chloro-6-[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate
Molecular weight402.879
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
SynonymsZINC71295521
BJORQEIIUZIBIY-UHFFFAOYSA-N
ethyl 5-chloro-6-(4-{[(3-methylphenyl)amino]carbonyl}piperazin-1-yl)nicotinate
SCHEMBL3928692
BDBM50345319
Inchi KeyBJORQEIIUZIBIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-17(21)18(22-13-15)24-7-9-25(10-8-24)20(27)23-16-6-4-5-14(2)11-16/h4-6,11-13H,3,7-10H2,1-2H3,(H,23,27)
PubChem CID24751850
ChEMBLCHEMBL1784205
IUPHARN/A
BindingDB50345319
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
25327P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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