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Ligand

NameCHEMBL1682938
Molecular formulaC26H24N2O2S
IUPAC name3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Molecular weight428.55
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsBQWCXAMITVBWIR-FEAGIOCNSA-N
SCHEMBL2010542
3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
BDBM50338368
3-(methylsulfinyl)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Inchi KeyBQWCXAMITVBWIR-FEAGIOCNSA-N
Inchi IDInChI=1S/C26H24N2O2S/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)31(2)30)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-,31?/m0/s1
PubChem CID16065257
ChEMBLCHEMBL1682938
IUPHARN/A
BindingDB50338368
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
30722Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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