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Ligand

NameCHEMBL224571
Molecular formulaC23H19ClF3NO3S
IUPAC name1-[[3-chloro-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
Molecular weight481.914
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50158341
SCHEMBL13415794
1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)azetidine-3-carboxylic acid
Inchi KeyAHFAXNLVTHDCEY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
PubChem CID10217498
ChEMBLCHEMBL224571
IUPHARN/A
BindingDB50158341
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5482Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
5483Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
5484Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
5486Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
5485Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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