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Ligand

NameCHEMBL2011747
Molecular formulaC26H25F3N4O3S
IUPAC name3-[4-[5-[butyl-[4-(trifluoromethyl)benzoyl]amino]-1,3,4-thiadiazol-2-yl]-1-methylindol-7-yl]propanoic acid
Molecular weight530.566
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50419973
Inchi KeyANXCDVJVRQJREN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25F3N4O3S/c1-3-4-14-33(24(36)17-5-9-18(10-6-17)26(27,28)29)25-31-30-23(37-25)20-11-7-16(8-12-21(34)35)22-19(20)13-15-32(22)2/h5-7,9-11,13,15H,3-4,8,12,14H2,1-2H3,(H,34,35)
PubChem CID70689434
ChEMBLCHEMBL2011747
IUPHARN/A
BindingDB50419973
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9975Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
9976Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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