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Ligand

NameCHEMBL3819427
Molecular formulaC20H22N2O2
IUPAC name4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoyl]benzamide
Molecular weight322.408
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.3
SynonymsSCHEMBL20358377
BDBM50182739
Inchi KeyHNPAUMYBQXZAJH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N2O2/c21-20(24)17-9-7-16(8-10-17)19(23)6-3-12-22-13-11-15-4-1-2-5-18(15)14-22/h1-2,4-5,7-10H,3,6,11-14H2,(H2,21,24)
PubChem CID127051844
ChEMBLCHEMBL3819427
IUPHARN/A
BindingDB50182739
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5249945-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5249925-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5249975-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5249935-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
5250005-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
524996D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
524998D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
524995D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
524999Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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