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Ligand

NameCHEMBL129163
Molecular formulaC21H22N2O
IUPAC name1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)butan-1-one
Molecular weight318.42
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50132112
1-Phenyl-4-(1,3,4,9-tetrahydro-beta-carbolin-2-yl)-butan-1-one
Inchi KeySJUGUCWHNWWFDF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O/c24-21(16-7-2-1-3-8-16)11-6-13-23-14-12-18-17-9-4-5-10-19(17)22-20(18)15-23/h1-5,7-10,22H,6,11-15H2
PubChem CID11045379
ChEMBLCHEMBL129163
IUPHARN/A
BindingDB50132112
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
3161525-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
3161515-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
3161505-hydroxytryptamine receptor 5AP30966Htr5aMus musculus (Mouse)357

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