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Ligand

NameCHEMBL3133594
Molecular formulaC21H25N2O7P
IUPAC name[2-amino-2-(hydroxymethyl)-4-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]phenyl]butyl] dihydrogen phosphate
Molecular weight448.412
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP-1.3
SynonymsN/A
Inchi KeyAOHVUVDBUKONAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25N2O7P/c1-15-23-20(12-28-15)17-4-8-19(9-5-17)30-18-6-2-16(3-7-18)10-11-21(22,13-24)14-29-31(25,26)27/h2-9,12,24H,10-11,13-14,22H2,1H3,(H2,25,26,27)
PubChem CID73333750
ChEMBLCHEMBL3133594
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10257Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
10258Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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