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Ligand

NameCHEMBL1760210
Molecular formulaC22H24N4O2
IUPAC name[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
Molecular weight376.46
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
SynonymsMolPort-008-329-339
BDBM50341106
[4-(2-methoxyphenyl)piperazin-1-yl][5-(4-methylphenyl)-1H-pyrazol-3-yl]methanone
(4-(2-methoxyphenyl)piperazin-1-yl)(3-p-tolyl-1H-pyrazol-5-yl)methanone
MCULE-5750810211
[ Show all ]
Inchi KeyBTMNKUAAPTWKSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4O2/c1-16-7-9-17(10-8-16)18-15-19(24-23-18)22(27)26-13-11-25(12-14-26)20-5-3-4-6-21(20)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,24)
PubChem CID20864936
ChEMBLCHEMBL1760210
IUPHARN/A
BindingDB50341106
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
32464Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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