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Ligand

NameCHEMBL93759
Molecular formulaC19H25ClN2O3
IUPAC name1-(4-chlorophenyl)-4-[4-(oxan-4-yl)piperazin-1-yl]butane-1,4-dione
Molecular weight364.87
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.8
SynonymsSCHEMBL4379125
BDBM50146818
1-(4-Chloro-phenyl)-4-[4-(tetrahydro-pyran-4-yl)-piperazin-1-yl]-butane-1,4-dione; hydrochloride
Inchi KeyABTOQRNLTAAXKR-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25ClN2O3/c20-16-3-1-15(2-4-16)18(23)5-6-19(24)22-11-9-21(10-12-22)17-7-13-25-14-8-17/h1-4,17H,5-14H2
PubChem CID9969081
ChEMBLN/A
IUPHARN/A
BindingDB50146818
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
1166Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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