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Ligand

NameCHEMBL275025
Molecular formulaC22H24Cl2N2O
IUPAC name2-(3,4-dichlorophenyl)-1-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Molecular weight403.347
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.7
SynonymsSCHEMBL9699133
BDBM50001108
1,2,3,4-Tetrahydro-2-[(3,4-dichlorophenyl)acetyl]-1-[(1-pyrrolidinyl)methyl]isoquinoline
2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone
2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone;C4H6O6
[ Show all ]
Inchi KeyATTHVGBIVYJECI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2
PubChem CID14726012
ChEMBLCHEMBL275025
IUPHARN/A
BindingDB50001108
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
14312Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
14313Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
14311Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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