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Ligand

NameCHEMBL60435
Molecular formulaC23H33N3O3
IUPAC name1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-2-[(2R)-pyrrolidin-2-yl]ethanone
Molecular weight399.535
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.8
SynonymsBDBM50220433
Inchi KeyABEZUHIZVKNNOT-HXUWFJFHSA-N
Inchi IDInChI=1S/C23H33N3O3/c27-22(17-20-3-1-10-24-20)26-14-12-25(13-15-26)11-2-16-29-21-8-6-19(7-9-21)23(28)18-4-5-18/h6-9,18,20,24H,1-5,10-17H2/t20-/m1/s1
PubChem CID44304332
ChEMBLCHEMBL60435
IUPHARN/A
BindingDB50220433
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
785Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
786Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
787Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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