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Ligand

NameCHEMBL26332
Molecular formulaC31H30F3N3O5S
IUPAC name3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-N-(4,4,4-trifluoro-2-methylidenebutyl)indole-5-carboxamide
Molecular weight613.652
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.2
Synonyms1-Methyl-3-[2-methoxy-4-[[(2-methylphenyl)sulfonyl]carbamoyl]benzyl]-N-[2-(2,2,2-trifluoroethyl)-2-propenyl]-1H-indole-5-carboxamide
BDBM50041345
3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indole-5-carboxylic acid (4,4,4-trifluoro-2-methylene-butyl)-amide
Inchi KeyCITRUMWMTDCXJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H30F3N3O5S/c1-19(16-31(32,33)34)17-35-29(38)22-11-12-26-25(14-22)24(18-37(26)3)13-21-9-10-23(15-27(21)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-12,14-15,18H,1,13,16-17H2,2-4H3,(H,35,38)(H,36,39)
PubChem CID10348808
ChEMBLCHEMBL26332
IUPHARN/A
BindingDB50041345
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
42955Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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