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Ligand

NameCHEMBL514196
Molecular formulaC14H9N5O2
IUPAC name4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,10,12-tetraene-3,7-dione
Molecular weight279.259
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.3
SynonymsBDBM50256924
2-phenylpyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazine-1,4(2H,5H)-dione
Inchi KeyCYELEEUSIXQPPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H9N5O2/c20-13-12-17-19(9-5-2-1-3-6-9)14(21)18(12)10-7-4-8-15-11(10)16-13/h1-8H,(H,15,16,20)
PubChem CID42625923
ChEMBLCHEMBL514196
IUPHARN/A
BindingDB50256924
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
53425Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
443837Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
53424Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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