Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G04BX03
UNII 4RZ82L2GY5
EPA CompTox DTXSID7022546

Structure

InChI Key RRUDCFGSUDOHDG-UHFFFAOYSA-N
Smiles CC(=O)NO
InChI
InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5NO2
Molecular Weight 75.07
AlogP -0.49
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 49.33
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 5.0

Pharmacology

Mechanism of Action Action Reference
Bacterial urease inhibitor INHIBITOR DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- - - -
Bacillus anthracis
- - - - 25
Cricetulus griseus
- - - - 91.26-100.94
Helicobacter pylori
- - - - 85.21-94.3
Homo sapiens
- - - - -97-10
Mus musculus
- - - - 4

Cross References

Resources Reference
ChEBI 49029
ChEMBL CHEMBL734
DrugBank DB00551
DrugCentral 58
FDA SRS 4RZ82L2GY5
Human Metabolome Database HMDB0014691
KEGG C06808
PDB HAE
PharmGKB PA164749213
PubChem 1990
SureChEMBL SCHEMBL14492
ZINC ZINC000004658603