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Ligand

NameCHEMBL300644
Molecular formulaC24H26N2O2S
IUPAC name4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzenecarbothioamide
Molecular weight406.544
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.0
Synonyms3'',4''-Dimethoxy-biphenyl-4-carbothioic acid (4-pyridin-3-yl-butyl)-amide
BDBM50018336
Inchi KeyAGEVWYIKIYVYFO-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O2S/c1-27-22-13-12-21(16-23(22)28-2)19-8-10-20(11-9-19)24(29)26-15-4-3-6-18-7-5-14-25-17-18/h5,7-14,16-17H,3-4,6,15H2,1-2H3,(H,26,29)
PubChem CID14570113
ChEMBLCHEMBL300644
IUPHARN/A
BindingDB50018336
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
4813Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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