Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[2-azaniumyl-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] hydrogen phosphate
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 PubChem ID
CID: 44398069
SID: 99431562
Canonical SMILES
CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
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Compound Formula C19H34NO5P
Compound Structure
Protein Name
 Protein Info 
Sphingosine 1-phosphate receptor 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Lipid-like ligand receptor (family A GPCR)
>
EDG receptor
Uniprot ID
P21453
Gene Name
S1PR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000064 Chem-1
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
EC50 = 0.35 nM
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  4
1
EC50 = 0.3 nM
   TI
   LI
   LO
   TS
2
EC50 = 9.1 nM
   TI
   LI
   LO
   TS
3
EC50 = 14 nM
   TI
   LI
   LO
   TS
4
IC50 = 0.28 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 1.3 nM
   TI
   LI
   LO
   TS
CL000436 PathHunter CHO-K1 EDG1 beta-arrestin
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1.67 nM
   TI
   LI
   LO
   TS
CL000435 PathHunter HEK 293 EDG1 Total GPCR Internalization
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 0.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Activity = 1.2 nM
2 Activity = 13.3 nM
3 EC50 = 0.377 nM
4 EC50 = 1.3 nM
5 EC50 = 4.4 nM