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Ligand

NameCHEMBL413742
Molecular formulaC34H41N3O5S
IUPAC nameN-(2-ethylhexyl)-3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindole-5-carboxamide
Molecular weight603.778
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.1
SynonymsN-[(2-Methylphenyl)sulfonyl]-3-methoxy-4-[[1-methyl-5-[(2-ethylhexyl)carbamoyl]-1H-indol-3-yl]methyl]benzamide
Inchi KeyDZAWPFCCIZVOPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H41N3O5S/c1-6-8-12-24(7-2)21-35-33(38)26-16-17-30-29(19-26)28(22-37(30)4)18-25-14-15-27(20-31(25)42-5)34(39)36-43(40,41)32-13-10-9-11-23(32)3/h9-11,13-17,19-20,22,24H,6-8,12,18,21H2,1-5H3,(H,35,38)(H,36,39)
PubChem CID10461263
ChEMBLCHEMBL413742
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
72465Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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