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Ligand

NameCHEMBL96752
Molecular formulaC20H21BrN2O2
IUPAC name6-bromo-1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Molecular weight401.304
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.1
Synonyms1-(3,4-Dimethoxybenzyl)-6-bromo-1,2,3,4-tetrahydro-beta-carboline
SCHEMBL7828516
Inchi KeyDZVSHDCFTWCEAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21BrN2O2/c1-24-18-6-3-12(10-19(18)25-2)9-17-20-14(7-8-22-17)15-11-13(21)4-5-16(15)23-20/h3-6,10-11,17,22-23H,7-9H2,1-2H3
PubChem CID10811035
ChEMBLCHEMBL96752
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
730805-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479

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