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Ligand

NameCHEMBL408489
Molecular formulaC23H32N6O3S
IUPAC nameN-[2-(dimethylamino)ethyl]-2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetamide
Molecular weight472.608
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50018408
N-(2-Dimethylamino-ethyl)-2-[4-(6-oxo-1,3-dipropyl-2-thioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide
Inchi KeyANEUXSXXVOAESW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32N6O3S/c1-5-12-28-21-19(22(31)29(13-6-2)23(28)33)25-20(26-21)16-7-9-17(10-8-16)32-15-18(30)24-11-14-27(3)4/h7-10H,5-6,11-15H2,1-4H3,(H,24,30)(H,25,26)
PubChem CID44298514
ChEMBLCHEMBL408489
IUPHARN/A
BindingDB50018408
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
9501Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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