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Ligand

NameCHEMBL224005
Molecular formulaC24H22F3NO3S
IUPAC name1-[[3-methyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
Molecular weight461.499
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.9
SynonymsSCHEMBL13678349
BDBM50158334
1-(3-methyl-4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)azetidine-3-carboxylic acid
Inchi KeyASTHITQJQQXIDF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22F3NO3S/c1-15-9-16(11-28-12-18(13-28)23(29)30)7-8-21(15)31-14-19-10-20(17-5-3-2-4-6-17)22(32-19)24(25,26)27/h2-10,18H,11-14H2,1H3,(H,29,30)
PubChem CID10288527
ChEMBLCHEMBL224005
IUPHARN/A
BindingDB50158334
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
13505Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
13507Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
13506Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
13508Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
13504Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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