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Ligand

NameCHEMBL310343
Molecular formulaC25H27ClN2O
IUPAC name1-(2-chloro-4-methylanilino)-1-(2-propan-2-ylphenyl)-4-pyridin-4-ylbutan-2-one
Molecular weight406.954
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50145728
1-(2-Chloro-4-methyl-phenylamino)-1-(2-isopropyl-phenyl)-4-pyridin-4-yl-butan-2-one
Inchi KeyAEJQSVDZOIAELQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27ClN2O/c1-17(2)20-6-4-5-7-21(20)25(28-23-10-8-18(3)16-22(23)26)24(29)11-9-19-12-14-27-15-13-19/h4-8,10,12-17,25,28H,9,11H2,1-3H3
PubChem CID44317667
ChEMBLCHEMBL310343
IUPHARN/A
BindingDB50145728
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
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GLASS IDNameUniProtGeneSpeciesLength
3542Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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