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Ligand

NameCHEMBL81376
Molecular formulaC24H23ClN2O
IUPAC name1-(2-chloro-4-methylanilino)-1-(2-ethenylphenyl)-4-pyridin-4-ylbutan-2-one
Molecular weight390.911
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.9
SynonymsBDBM50145740
1-(2-Chloro-4-methyl-phenylamino)-4-pyridin-4-yl-1-(2-vinyl-phenyl)-butan-2-one
Inchi KeyADGMESDWXBUFLH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23ClN2O/c1-3-19-6-4-5-7-20(19)24(27-22-10-8-17(2)16-21(22)25)23(28)11-9-18-12-14-26-15-13-18/h3-8,10,12-16,24,27H,1,9,11H2,2H3
PubChem CID44317759
ChEMBLCHEMBL81376
IUPHARN/A
BindingDB50145740
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2293Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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