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Ligand

NameCHEMBL229366
Molecular formulaC24H33ClN6O3
IUPAC name7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-8-propoxypurine-2,6-dione
Molecular weight489.017
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50213587
Inchi KeyCTEWZVKBSGFDET-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H33ClN6O3/c1-4-16-34-23-26-21-20(22(32)28(3)24(33)27(21)2)31(23)11-6-5-10-29-12-14-30(15-13-29)19-9-7-8-18(25)17-19/h7-9,17H,4-6,10-16H2,1-3H3
PubChem CID44424662
ChEMBLCHEMBL229366
IUPHARN/A
BindingDB50213587
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
500595-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
500585-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
500605-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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