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Ligand

NameMLS000077136
Molecular formulaC12H11N3O6
IUPAC name(5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate
Molecular weight293.235
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP-0.1
SynonymsSMR000008576
Acetic acid 7-acetoxy-5-acetylamino-benzo[1,2,5]oxadiazol-4-yl ester
(5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate
BAS 00318833
AC1LCA45
[ Show all ]
Inchi KeyAABQOSHDRSWHSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H11N3O6/c1-5(16)13-8-4-9(19-6(2)17)10-11(15-21-14-10)12(8)20-7(3)18/h4H,1-3H3,(H,13,16)
PubChem CID597363
ChEMBLCHEMBL1440703
IUPHARN/A
BindingDB31042
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
375-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
355-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
36Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
32Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
33Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
34Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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