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Ligand

NameCHEMBL3334899
Molecular formulaC24H21F3N2O4S
IUPAC name[3-(6-methoxypyridin-3-yl)-5-methylsulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
Molecular weight490.497
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsSCHEMBL17616310
Inchi KeyBVIFZQSTLISWHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21F3N2O4S/c1-33-22-9-6-16(12-28-22)23-19-11-18(34(2,31)32)7-8-20(19)29(21(23)14-30)13-15-4-3-5-17(10-15)24(25,26)27/h3-12,30H,13-14H2,1-2H3
PubChem CID118714111
ChEMBLCHEMBL3334899
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
442976Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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