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Ligand

NameCHEMBL601208
Molecular formulaC18H16N4O3S
IUPAC name3-amino-N-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Molecular weight368.411
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
Synonyms3-amino-N-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
AC1MGVDW
Oprea1_693225
SCHEMBL426674
MolPort-002-254-407
[ Show all ]
Inchi KeyAAEYTMMNWWKSKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16N4O3S/c19-15-13-9-10-3-1-2-4-14(10)21-18(13)26-16(15)17(23)20-11-5-7-12(8-6-11)22(24)25/h5-9H,1-4,19H2,(H,20,23)
PubChem CID2942088
ChEMBLCHEMBL601208
IUPHARN/A
BindingDB50306782
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
157Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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