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Ligand

NameCHEMBL444799
Molecular formulaC21H17F2N3O3S
IUPAC name3-[4-[5-[3-cyano-4-(2,2-difluoroethoxy)phenyl]-1,3,4-thiadiazol-2-yl]-3-methylphenyl]propanoic acid
Molecular weight429.442
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50186385
SCHEMBL14018896
3-(4-(5-(3-cyano-4-(2,2-difluoroethoxy)phenyl)-1,3,4-thiadiazol-2-yl)-3-methylphenyl)propanoic acid
Inchi KeyADFZDDOZOYZYOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17F2N3O3S/c1-12-8-13(3-7-19(27)28)2-5-16(12)21-26-25-20(30-21)14-4-6-17(15(9-14)10-24)29-11-18(22)23/h2,4-6,8-9,18H,3,7,11H2,1H3,(H,27,28)
PubChem CID44412993
ChEMBLCHEMBL444799
IUPHARN/A
BindingDB50186385
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2246Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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