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Ligand

NameCHEMBL577831
Molecular formulaC17H21ClN4O
IUPAC name2-[2-(3-chlorophenyl)ethyl]-3-methyl-6-piperazin-1-ylpyrimidin-4-one
Molecular weight332.832
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.7
SynonymsBDBM50301782
2-(3-chlorophenethyl)-3-methyl-6-(piperazin-1-yl)pyrimidin-4(3H)-one
Inchi KeyAJDBFLVHURZULN-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21ClN4O/c1-21-15(6-5-13-3-2-4-14(18)11-13)20-16(12-17(21)23)22-9-7-19-8-10-22/h2-4,11-12,19H,5-10H2,1H3
PubChem CID45484886
ChEMBLCHEMBL577831
IUPHARN/A
BindingDB50301782
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: 3
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GLASS IDNameUniProtGeneSpeciesLength
68015-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
68005-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
68025-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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