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Ligand

NameTCMDC-139048
Molecular formulaC21H22N2O
IUPAC name3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methoxy-1H-indole
Molecular weight318.42
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.7
SynonymsCHEMBL366081
SCHEMBL4194997
BDBM50154709
3-(1-Benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-methoxy-1H-indole
Inchi KeyALXBTSBMBMBYHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O/c1-24-18-7-8-21-19(13-18)20(14-22-21)17-9-11-23(12-10-17)15-16-5-3-2-4-6-16/h2-9,13-14,22H,10-12,15H2,1H3
PubChem CID9818448
ChEMBLCHEMBL366081
IUPHARN/A
BindingDB50154709
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
86355-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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