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Ligand

NameCHEMBL3800019
Molecular formulaC27H34N4O6
IUPAC nameN-[(2S)-3-[4-[5-(2-cyclopentyloxy-6-methylpyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight510.591
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50164817
Inchi KeyAWSQXFXRSMMJTH-NRFANRHFSA-N
Inchi IDInChI=1S/C27H34N4O6/c1-4-18-11-19(9-16(2)25(18)35-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)20-10-17(3)29-24(12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/m0/s1
PubChem CID127046741
ChEMBLCHEMBL3800019
IUPHARN/A
BindingDB50164817
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521960Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
521961Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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