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Ligand

NameCHEMBL292275
Molecular formulaC26H32N2O5
IUPAC nameethyl 4-[3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]propyl]piperazine-1-carboxylate
Molecular weight452.551
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50220213
Inchi KeyBYKHDCPMWIUHPJ-VGOFMYFVSA-N
Inchi IDInChI=1S/C26H32N2O5/c1-3-32-26(30)28-18-16-27(17-19-28)15-4-20-33-24-12-8-22(9-13-24)25(29)14-7-21-5-10-23(31-2)11-6-21/h5-14H,3-4,15-20H2,1-2H3/b14-7+
PubChem CID44304031
ChEMBLCHEMBL292275
IUPHARN/A
BindingDB50220213
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
35864Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
35865Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
35866Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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