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Ligand

NameCHEMBL3925977
Molecular formulaC31H40N4O3
IUPAC name8-[4-[2-[4-[3-(azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline-7-carboxylic acid
Molecular weight516.686
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50205365
Inchi KeyAUJBUPBEDOLIFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H40N4O3/c36-31(37)28-13-10-26-7-5-15-32-29(26)30(28)35-22-20-34(21-23-35)19-14-25-8-11-27(12-9-25)38-24-6-18-33-16-3-1-2-4-17-33/h5,7-13,15H,1-4,6,14,16-24H2,(H,36,37)
PubChem CID134141385
ChEMBLCHEMBL3925977
IUPHARN/A
BindingDB50205365
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548047Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
548048Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
548049Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
548046Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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