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Ligand

NameCHEMBL229179
Molecular formulaC23H31ClN6O3
IUPAC name7-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,3-dimethyl-8-propoxypurine-2,6-dione
Molecular weight474.99
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50213578
7-{3-[4-(3-chlorophenyl)-piperazin-1-yl]-propyl}-8-propoxy-1,3-dimethyl-3,7-dihydropurine-2,6-dione
Inchi KeyBCBOERRUIROKSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31ClN6O3/c1-4-15-33-22-25-20-19(21(31)27(3)23(32)26(20)2)30(22)10-6-9-28-11-13-29(14-12-28)18-8-5-7-17(24)16-18/h5,7-8,16H,4,6,9-15H2,1-3H3
PubChem CID44424657
ChEMBLCHEMBL229179
IUPHARN/A
BindingDB50213578
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
200185-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
200175-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
200195-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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