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Ligand

NameSMR000178156
Molecular formulaC18H11N3O4
IUPAC name2-(4-methylpyridin-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione
Molecular weight333.303
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.2
SynonymsMLS000568285
2-(4-Methyl-pyridin-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione
2-(4-methylpyridin-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione
2-(4-methylpyridin-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
AC1LE1H2
[ Show all ]
Inchi KeyABGNBUFUIFDYCP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H11N3O4/c1-10-7-8-19-15(9-10)20-17(22)12-4-2-3-11-14(21(24)25)6-5-13(16(11)12)18(20)23/h2-9H,1H3
PubChem CID704848
ChEMBLCHEMBL1419909
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
839Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
840Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
838Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384

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