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Ligand

NameCHEMBL2031757
Molecular formulaC22H25FN2O
IUPAC name6-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
Molecular weight352.453
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50383133
SCHEMBL3650534
Inchi KeyAEHCJYWMDQUABD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25FN2O/c23-20-7-4-17(5-8-20)18-6-9-21-19(16-18)10-13-25(22(21)26)15-14-24-11-2-1-3-12-24/h4-9,16H,1-3,10-15H2
PubChem CID57612982
ChEMBLCHEMBL2031757
IUPHARN/A
BindingDB50383133
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
3464Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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