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Ligand

NameCHEMBL228940
Molecular formulaC21H27ClN6O3
IUPAC name7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-9H-purine-2,6,8-trione
Molecular weight446.936
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50213572
7-{4-[4-(3-chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dimethyl-7,9-dihydro-3H-purine-2,6,8-trione
Inchi KeyCGFQYESPMKJYLK-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27ClN6O3/c1-24-18-17(19(29)25(2)21(24)31)28(20(30)23-18)9-4-3-8-26-10-12-27(13-11-26)16-7-5-6-15(22)14-16/h5-7,14H,3-4,8-13H2,1-2H3,(H,23,30)
PubChem CID44424670
ChEMBLCHEMBL228940
IUPHARN/A
BindingDB50213572
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
412715-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
412725-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
412705-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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