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Ligand

NameSCHEMBL2945721
Molecular formulaC21H25NO3S
IUPAC name(2S,4R)-N-[[4-(2-hydroxyethoxy)phenyl]methyl]-3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-diene-7-carboxamide
Molecular weight371.495
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsCHEMBL3103659
Inchi KeyALJDIWOHGISZTH-SJLPKXTDSA-N
Inchi IDInChI=1S/C21H25NO3S/c1-12-17-15(10-16-18(17)21(16,2)3)19(26-12)20(24)22-11-13-4-6-14(7-5-13)25-9-8-23/h4-7,16,18,23H,8-11H2,1-3H3,(H,22,24)/t16-,18-/m1/s1
PubChem CID11530826
ChEMBLCHEMBL3103659
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
8310Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
8309Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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