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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameVU0152119
Molecular formulaC23H28N4O4S
IUPAC name3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
Molecular weight456.561
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.5
Synonyms3-amino-4-methyl-6-(2-morpholinoethoxy)-N-p-anisyl-thieno[2,3-b]pyridine-2-carboxamide
3-azanyl-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
cid_45142471
3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-[2-(4-morpholinyl)ethoxy]-2-thieno[2,3-b]pyridinecarboxamide
[ Show all ]
Inchi KeyGRBWIUCZMJGFMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4O4S/c1-15-13-18(31-12-9-27-7-10-30-11-8-27)26-23-19(15)20(24)21(32-23)22(28)25-14-16-3-5-17(29-2)6-4-16/h3-6,13H,7-12,14,24H2,1-2H3,(H,25,28)
PubChem CID45142471
ChEMBLN/A
IUPHARN/A
BindingDB48059
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
460146Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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