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Ligand

NameCHEMBL64884
Molecular formulaC25H35N3O3
IUPAC name1-[4-[3-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one
Molecular weight425.573
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50220400
Inchi KeyCJXQVUBYAQWRHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35N3O3/c1-3-4-5-9-24(29)21-10-12-22(13-11-21)31-20-7-15-27-16-18-28(19-17-27)25(30)23-8-6-14-26(23)2/h6,8,10-14H,3-5,7,9,15-20H2,1-2H3
PubChem CID44304245
ChEMBLCHEMBL64884
IUPHARN/A
BindingDB50220400
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
43804Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
43803Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
43802Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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