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Ligand

NameCHEMBL1171886
Molecular formulaC21H24ClN3O2
IUPAC name[6-(4-chlorophenoxy)pyridin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
Molecular weight385.892
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50321464
SCHEMBL2974769
(6-(4-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methanone
Inchi KeyAHYIQKYLWZRVTE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24ClN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2
PubChem CID24771420
ChEMBLCHEMBL1171886
IUPHARN/A
BindingDB50321464
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5984Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
5985Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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