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Ligand

NameCHEMBL3126622
Molecular formulaC27H34N4O5
IUPAC nameN-[(2S)-3-[4-[5-(6-cyclopentyl-5-methylpyridin-3-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight494.592
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.6
SynonymsN/A
Inchi KeyAJNUGGYZUUFYOF-QFIPXVFZSA-N
Inchi IDInChI=1S/C27H34N4O5/c1-4-18-11-20(10-17(3)25(18)35-15-22(33)13-28-23(34)14-32)26-30-27(36-31-26)21-9-16(2)24(29-12-21)19-7-5-6-8-19/h9-12,19,22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t22-/m0/s1
PubChem CID76314625
ChEMBLCHEMBL3126622
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
7076Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
7075Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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