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Ligand

NameCHEMBL1760331
Molecular formulaC21H20Cl2N4O2
IUPAC name[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
Molecular weight431.317
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50341097
(4-(5-chloro-2-methoxyphenyl)piperazin-1-yl)(3-(4-chlorophenyl)-1H-pyrazol-5-yl)methanone
Inchi KeyAJUBYEHJFBHLLN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20Cl2N4O2/c1-29-20-7-6-16(23)12-19(20)26-8-10-27(11-9-26)21(28)18-13-17(24-25-18)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,24,25)
PubChem CID54580975
ChEMBLCHEMBL1760331
IUPHARN/A
BindingDB50341097
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
7227Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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