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Ligand

NameMLS002161239
Molecular formulaC19H17NO5
IUPAC name[2-(1H-indol-3-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
Molecular weight339.347
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
Synonyms573966-93-5
HMS3068L16
[2-(1H-indol-3-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
AKOS001075954
MolPort-004-084-612
[ Show all ]
Inchi KeyADHVSMMLXKWZCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17NO5/c1-23-17-8-7-12(9-18(17)24-2)19(22)25-11-16(21)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3
PubChem CID2689697
ChEMBLCHEMBL1514340
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
2327Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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