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Ligand

NameCHEMBL3800120
Molecular formulaC26H32N4O6
IUPAC nameN-[(2S)-3-[4-[5-(2-cyclobutyloxy-6-methylpyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight496.564
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.2
SynonymsBDBM50164818
Inchi KeyAEWAZTNRDIPNJI-FQEVSTJZSA-N
Inchi IDInChI=1S/C26H32N4O6/c1-4-17-10-18(8-15(2)24(17)34-14-20(32)12-27-22(33)13-31)25-29-26(36-30-25)19-9-16(3)28-23(11-19)35-21-6-5-7-21/h8-11,20-21,31-32H,4-7,12-14H2,1-3H3,(H,27,33)/t20-/m0/s1
PubChem CID127046185
ChEMBLCHEMBL3800120
IUPHARN/A
BindingDB50164818
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
521554Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
521553Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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