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Ligand

NameMLS000698493
Molecular formulaC21H25ClN2O2
IUPAC nameN-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
Molecular weight372.893
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.9
SynonymsN-(3-chloro-4,5-diethoxybenzyl)-N-[2-(1H-indol-3-yl)ethyl]amine
SMR000228921
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
AC1LYAPE
AN-465/42889737
[ Show all ]
Inchi KeyAPABSGRYLLJSEU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25ClN2O2/c1-3-25-20-12-15(11-18(22)21(20)26-4-2)13-23-10-9-16-14-24-19-8-6-5-7-17(16)19/h5-8,11-12,14,23-24H,3-4,9-10,13H2,1-2H3
PubChem CID1818022
ChEMBLCHEMBL1346904
IUPHARN/A
BindingDB88460
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
10799Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
10798Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
10800Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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