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Ligand

NameCHEMBL1784230
Molecular formulaC21H25ClN4O3
IUPAC nameethyl 5-chloro-6-[4-[(4-methylphenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate
Molecular weight416.906
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50345276
ethyl 5-chloro-6-(4-{[(4-methylbenzyl)amino]carbonyl}piperazin-1-yl)nicotinate
SCHEMBL3923520
AEQOMJOKGSDYGH-UHFFFAOYSA-N
ZINC71280654
Inchi KeyAEQOMJOKGSDYGH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25ClN4O3/c1-3-29-20(27)17-12-18(22)19(23-14-17)25-8-10-26(11-9-25)21(28)24-13-16-6-4-15(2)5-7-16/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,24,28)
PubChem CID24751710
ChEMBLCHEMBL1784230
IUPHARN/A
BindingDB50345276
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
3761P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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