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Ligand

NameCHEMBL62421
Molecular formulaC22H35N3O3
IUPAC name1-[4-[3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one
Molecular weight389.54
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50220467
SCHEMBL7244202
Inchi KeyCGDJUGZQGOTFLF-GOSISDBHSA-N
Inchi IDInChI=1S/C22H35N3O3/c1-3-4-5-7-21(26)19-8-10-20(11-9-19)28-17-6-12-24-13-15-25(16-14-24)22(27)18(2)23/h8-11,18H,3-7,12-17,23H2,1-2H3/t18-/m1/s1
PubChem CID44304012
ChEMBLCHEMBL62421
IUPHARN/A
BindingDB50220467
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
41214Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
41215Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
41216Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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