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Ligand

NameCHEMBL64479
Molecular formulaC23H36N2O3
IUPAC name1-[4-[3-(4-butanoylpiperazin-1-yl)propoxy]phenyl]hexan-1-one
Molecular weight388.552
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50220340
Inchi KeyAWRHPMGJQNISSW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H36N2O3/c1-3-5-6-9-22(26)20-10-12-21(13-11-20)28-19-7-14-24-15-17-25(18-16-24)23(27)8-4-2/h10-13H,3-9,14-19H2,1-2H3
PubChem CID44304307
ChEMBLCHEMBL64479
IUPHARN/A
BindingDB50220340
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16284Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
16286Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
16285Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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