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Ligand

NameCHEMBL186350
Molecular formulaC21H23N
IUPAC name3-(2-phenylethyl)-2,4,5,6-tetrahydro-1H-benzo[f]isoquinoline
Molecular weight289.422
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP3.9
SynonymsAC1MCDNU
ZINC4040585
3-phenethyl-2,4,5,6-tetrahydro-1H-benzo[f]isoquinoline
BDBM50155605
Oprea1_850437
[ Show all ]
Inchi KeyCTGJCBHUIMTVHX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N/c1-2-6-17(7-3-1)12-14-22-15-13-21-19(16-22)11-10-18-8-4-5-9-20(18)21/h1-9H,10-16H2
PubChem CID2767081
ChEMBLCHEMBL186350
IUPHARN/A
BindingDB50155605
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
50086D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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