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Ligand

NameCHEMBL2011740
Molecular formulaC23H21F3N4OS
IUPAC nameN-butyl-N-[5-(1-methylindol-4-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
Molecular weight458.503
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50419966
Inchi KeyAUJUIOZTFOZLJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21F3N4OS/c1-3-4-13-30(21(31)15-8-10-16(11-9-15)23(24,25)26)22-28-27-20(32-22)18-6-5-7-19-17(18)12-14-29(19)2/h5-12,14H,3-4,13H2,1-2H3
PubChem CID70685210
ChEMBLCHEMBL2011740
IUPHARN/A
BindingDB50419966
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14696Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
14697Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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