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Ligand

NameCHEMBL81726
Molecular formulaC21H17BrCl2N2O
IUPAC name1-(2-bromophenyl)-1-(2,4-dichloroanilino)-4-pyridin-4-ylbutan-2-one
Molecular weight464.184
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.1
Synonyms1-(2-Bromo-phenyl)-1-(2,4-dichloro-phenylamino)-4-pyridin-4-yl-butan-2-one
BDBM50145735
Inchi KeyAUGIDTNFOJJKQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17BrCl2N2O/c22-17-4-2-1-3-16(17)21(26-19-7-6-15(23)13-18(19)24)20(27)8-5-14-9-11-25-12-10-14/h1-4,6-7,9-13,21,26H,5,8H2
PubChem CID44317962
ChEMBLCHEMBL81726
IUPHARN/A
BindingDB50145735
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
14615Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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