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Ligand

NameCHEMBL316687
Molecular formulaC16H19ClN6O2
IUPAC name1-(2-amino-4-chlorophenyl)-4,6-dipropyltriazolo[4,5-d]pyrimidine-5,7-dione
Molecular weight362.818
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
Synonyms1-(2-Amino-4-chloro-phenyl)-4,6-dipropyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione
BDBM50040062
1-(2-Amino-4-chlorophenyl)-4,6-dipropyl-1H-1,2,3-triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Inchi KeyARBQVRHYEABOGX-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19ClN6O2/c1-3-7-21-14-13(15(24)22(8-4-2)16(21)25)23(20-19-14)12-6-5-10(17)9-11(12)18/h5-6,9H,3-4,7-8,18H2,1-2H3
PubChem CID10067239
ChEMBLCHEMBL316687
IUPHARN/A
BindingDB50040062
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
12284Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326

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