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Ligand

NameCHEMBL281066
Molecular formulaC32H37N3O5S
IUPAC nameN-(2-ethylbutyl)-3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindole-5-carboxamide
Molecular weight575.724
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.0
SynonymsBDBM50041341
N-[(2-Methylphenyl)sulfonyl]-3-methoxy-4-[[1-methyl-5-[(2-ethylbutyl)carbamoyl]-1H-indol-3-yl]methyl]benzamide
3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indole-5-carboxylic acid (2-ethyl-butyl)-amide
Inchi KeyBBKGKXNPYBEWIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H37N3O5S/c1-6-22(7-2)19-33-31(36)24-14-15-28-27(17-24)26(20-35(28)4)16-23-12-13-25(18-29(23)40-5)32(37)34-41(38,39)30-11-9-8-10-21(30)3/h8-15,17-18,20,22H,6-7,16,19H2,1-5H3,(H,33,36)(H,34,37)
PubChem CID9985579
ChEMBLCHEMBL281066
IUPHARN/A
BindingDB50041341
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
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GLASS IDNameUniProtGeneSpeciesLength
19556Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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