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Ligand

NameCHEMBL64667
Molecular formulaC24H37N3O3
IUPAC name1-[4-[3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one
Molecular weight415.578
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50220099
4-[3-(4-Hexanoylphenoxy)propyl]piperazinopyrrolizinoketone
Inchi KeyBHZVLTKKVOPLTE-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H37N3O3/c1-2-3-4-8-23(28)21-9-11-22(12-10-21)30-20-7-13-25-16-18-27(19-17-25)24(29)26-14-5-6-15-26/h9-12H,2-8,13-20H2,1H3
PubChem CID44304310
ChEMBLCHEMBL64667
IUPHARN/A
BindingDB50220099
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
24231Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
24232Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
24233Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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