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Ligand

NameCHEMBL56813
Molecular formulaC15H18N4OS2
IUPAC name1,3-dipropyl-2-sulfanylidene-8-thiophen-2-yl-7H-purin-6-one
Molecular weight334.456
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsSCHEMBL9257595
BDBM50018402
L004601
1,3-Dipropyl-8-thiophen-2-yl-2-thioxo-1,2,3,7-tetrahydro-purin-6-one
Inchi KeyAKMVZDXMRCPXFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H18N4OS2/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
PubChem CID19382376
ChEMBLCHEMBL56813
IUPHARN/A
BindingDB50018402
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
7701Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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