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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL585105
Molecular formulaC22H27N7O2
IUPAC name2,4-dimethyl-6-[3-(4-phenylpiperazin-1-yl)propyl]purino[7,8-a]imidazole-1,3-dione
Molecular weight421.505
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.4
SynonymsBDBM50301629
8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-1,3-dimethyl-(1H,8H)-imidazo[2,1-f]purine-2,4-dione
Inchi KeyAOAWROOBGZLWJS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N7O2/c1-24-19-18(20(30)25(2)22(24)31)29-16-15-28(21(29)23-19)10-6-9-26-11-13-27(14-12-26)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3
PubChem CID44517350
ChEMBLCHEMBL585105
IUPHARN/A
BindingDB50301629
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
100885-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
100895-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
10087D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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