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Ligand

NameCHEMBL11435
Molecular formulaC23H23ClN2O2
IUPAC name1-[2-(1-acetylpiperidin-4-ylidene)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-yl]ethanone
Molecular weight394.899
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.1
SynonymsSCHEMBL8878954
1-[4-(3-Acetyl-8-chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone
BDBM50281827
Inchi KeyDZOUZDARLWQOBO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClN2O2/c1-14(27)19-11-18-4-3-17-12-20(24)5-6-21(17)22(23(18)25-13-19)16-7-9-26(10-8-16)15(2)28/h5-6,11-13H,3-4,7-10H2,1-2H3
PubChem CID44267115
ChEMBLCHEMBL11435
IUPHARN/A
BindingDB50281827
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
72891Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486

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