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Ligand

NameMLS000588327
Molecular formulaC20H16N4OS
IUPAC name(E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-prop-2-enylprop-2-enamide
Molecular weight360.435
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
Synonyms(E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-prop-2-enylprop-2-enamide
ZINC2278134
1164463-29-9
HMS2516J19
(E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-N-prop-2-enyl-2-propenamide
[ Show all ]
Inchi KeyHTSQIHHCUYPOOO-NTCAYCPXSA-N
Inchi IDInChI=1S/C20H16N4OS/c1-2-10-22-20(25)15(13-21)12-16-14-24(17-7-4-3-5-8-17)23-19(16)18-9-6-11-26-18/h2-9,11-12,14H,1,10H2,(H,22,25)/b15-12+
PubChem CID1902746
ChEMBLCHEMBL1408432
IUPHARN/A
BindingDB41949
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
123851Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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