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Ligand

NameCHEMBL272050
Molecular formulaC20H25N3O2
IUPAC name1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine
Molecular weight339.439
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.7
SynonymsZINC4703393
BDBM50372601
ST45072264
AC1LJAFQ
Cambridge id 6524173
[ Show all ]
Inchi KeyAQGMGOPOJDMNMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N3O2/c24-23(25)20-10-4-8-19(16-20)17-22-14-12-21(13-15-22)11-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16H,5,9,11-15,17H2
PubChem CID947372
ChEMBLCHEMBL272050
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11668Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
11670Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
11669Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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