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Ligand

NameCHEMBL332936
Molecular formulaC19H20ClN3O
IUPAC name4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-1-methylpiperazin-2-one
Molecular weight341.839
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM50073186
4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-methyl-piperazin-2-one
Inchi KeyAQDGHEAVWFSLJW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20ClN3O/c1-22-9-10-23(12-17(22)24)19-16-7-6-15(20)11-14(16)5-4-13-3-2-8-21-18(13)19/h2-3,6-8,11,19H,4-5,9-10,12H2,1H3
PubChem CID44343626
ChEMBLCHEMBL332936
IUPHARN/A
BindingDB50073186
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
11579Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486

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