Synonyms
Status
Molecule Category Free-form
ATC G04BX06
UNII K2J09EMJ52

Structure

InChI Key QPFYXYFORQJZEC-FOCLMDBBSA-N
Smiles Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChI
InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11N5
Molecular Weight 213.24
AlogP 2.66
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 89.65
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 23-67
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 96
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 23-67
unidentified
- - - - 96

Cross References

Resources Reference
ChEMBL CHEMBL1242
DrugBank DB01438
DrugCentral 2120
FDA SRS K2J09EMJ52
Human Metabolome Database HMDB0015506
Guide to Pharmacology 7616
KEGG C07429
SureChEMBL SCHEMBL253232
ZINC ZINC000095483532