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Ligand

NameCHEMBL3800591
Molecular formulaC27H38N4O5S
IUPAC nameN-[(2S)-3-[4-[5-[5-[[butyl(methyl)amino]methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight530.684
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.8
SynonymsBDBM50165373
SCHEMBL884229
Inchi KeyAYGKUFKYYOKPQX-NRFANRHFSA-N
Inchi IDInChI=1S/C27H38N4O5S/c1-6-8-9-31(5)14-23-17(3)11-22(37-23)27-29-26(30-36-27)20-10-18(4)25(19(7-2)12-20)35-16-21(33)13-28-24(34)15-32/h10-12,21,32-33H,6-9,13-16H2,1-5H3,(H,28,34)/t21-/m0/s1
PubChem CID66829308
ChEMBLCHEMBL3800591
IUPHARN/A
BindingDB50165373
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
521998Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
521997Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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