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Ligand

NameCHEMBL11136
Molecular formulaC22H23ClN2O2
IUPAC name1-[4-(13-chloro-6-methoxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone
Molecular weight382.888
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.4
Synonyms1-[4-(8-Chloro-3-methoxy-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone
BDBM50281825
Inchi KeyGYNAMDMVOYKWLO-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23ClN2O2/c1-14(26)25-9-7-15(8-10-25)21-20-6-5-18(23)11-16(20)3-4-17-12-19(27-2)13-24-22(17)21/h5-6,11-13H,3-4,7-10H2,1-2H3
PubChem CID44267139
ChEMBLCHEMBL11136
IUPHARN/A
BindingDB50281825
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
108447Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486

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