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Ligand

NameCHEMBL268964
Molecular formulaC13H12ClN5O2
IUPAC name8-(2-amino-4-chlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight305.722
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.2
Synonyms8-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
BDBM50020974
SCHEMBL10614807
8-(2-Amino-4-Chlorophenyl) Theophylline
AHWULPFNBGPTJA-UHFFFAOYSA-N
Inchi KeyAHWULPFNBGPTJA-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H12ClN5O2/c1-18-11-9(12(20)19(2)13(18)21)16-10(17-11)7-4-3-6(14)5-8(7)15/h3-5H,15H2,1-2H3,(H,16,17)
PubChem CID13525068
ChEMBLCHEMBL268964
IUPHARN/A
BindingDB50020974
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5945Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
5946Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326

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