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Ligand

NameCHEMBL325470
Molecular formulaC22H26ClN3O
IUPAC name1-[(2S,6R)-4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-2,6-dimethylpiperazin-1-yl]ethanone
Molecular weight383.92
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.5
SynonymsN/A
Inchi KeyICKSMNOTDYHEHO-SZLXDWMPSA-N
Inchi IDInChI=1S/C22H26ClN3O/c1-14-12-25(13-15(2)26(14)16(3)27)22-20-9-8-19(23)11-18(20)7-6-17-5-4-10-24-21(17)22/h4-5,8-11,14-15,22H,6-7,12-13H2,1-3H3/t14-,15+,22?
PubChem CID44343694
ChEMBLCHEMBL325470
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
129865Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486

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