Structure

InChI Key RIKMMFOAQPJVMX-UHFFFAOYSA-N
Smile Cc1cn[nH]c1
InChI
InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N2
Molecular Weight 82.11
AlogP 0.72
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 28.68
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 6.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Alcohol dehydrogenase class I inhibitor DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - 13 141 -

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Macular Degeneration 1 D008268 ClinicalTrials

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
33.33
Cardiac disorders
16.67
Respiratory, thoracic and mediastinal disorders
16.67
Immune system disorders
11.11
Metabolism and nutrition disorders
11.11
General disorders and administration site conditions
5.56
Surgical and medical procedures
5.56

Cross References

Resources Reference
CAS NUMBER 7554-65-6
ChEBI 5141
ChEMBL CHEMBL1308
DrugBank DB01213
DrugCentral 1233
EPA CompTox DTXSID3040649
FDA SRS 83LCM6L2BY
Human Metabolome Database HMDB0015344
KEGG C07837
PDB 4PZ
PharmGKB PA449697
PubChem 3406
SureChEMBL SCHEMBL10591
ZINC ZINC000000897288