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Ligand

NameCHEMBL224800
Molecular formulaC24H22F3NO4S
IUPAC name1-[[3-methoxy-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
Molecular weight477.498
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM50158350
SCHEMBL13678358
1-(3-methoxy-4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)azetidine-3-carboxylic acid
Inchi KeyCRSDAUWBRRWRFZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22F3NO4S/c1-31-21-9-15(11-28-12-17(13-28)23(29)30)7-8-20(21)32-14-18-10-19(16-5-3-2-4-6-16)22(33-18)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,29,30)
PubChem CID10310952
ChEMBLCHEMBL224800
IUPHARN/A
BindingDB50158350
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
49055Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
49052Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
49056Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
49054Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
49053Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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