Structure

InChI Key LEHOTFFKMJEONL-UHFFFAOYSA-N
Smile Oc1nc(O)c2nc(O)[nH]c2n1
InChI
InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4N4O3
Molecular Weight 168.11
AlogP -0.53
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 0.0
Polar Surface Area 115.15
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 4340 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ischemic Stroke 2 D000083242 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 69-93-2
ChEBI 46817
ChEMBL CHEMBL792
DrugBank DB08844
EPA CompTox DTXSID3042508
FDA SRS 268B43MJ25
Human Metabolome Database HMDB0000289
Guide to Pharmacology 4731
KEGG C00366
PDB 8HX
PubChem 1175
SureChEMBL SCHEMBL7933
ZINC ZINC000002041003