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Ligand

NameCHEMBL3121985
Molecular formulaC26H33N3O5S
IUPAC nameN-[(2S)-3-[2-ethyl-4-[5-(3-ethyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight499.626
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.6
SynonymsN/A
Inchi KeyAHMAZHQESFGFID-SFHVURJKSA-N
Inchi IDInChI=1S/C26H33N3O5S/c1-4-16-11-17(10-15(3)23(16)33-14-18(31)12-27-22(32)13-30)25-28-26(34-29-25)24-20-9-7-6-8-19(20)21(5-2)35-24/h10-11,18,30-31H,4-9,12-14H2,1-3H3,(H,27,32)/t18-/m0/s1
PubChem CID76318058
ChEMBLCHEMBL3121985
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
5663Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
5664Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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