Structure

InChI Key YTGJWQPHMWSCST-UHFFFAOYSA-N
Smile CC(S)C(=O)NCC(=O)O
InChI
InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9NO3S
Molecular Weight 163.2
AlogP -0.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 66.4
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
None Reducing agent DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 1900-1900 - - -

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Subarachnoid Hemorrhage 2 D013345 ClinicalTrials
Chemical and Drug Induced Liver Injury 2 D056486 ClinicalTrials
Cystinuria 2 D003555 ClinicalTrials

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
24.34
Gastrointestinal disorders
16.08
Skin and subcutaneous tissue disorders
9.09
Nervous system disorders
7.67
Musculoskeletal and connective tissue disorders
7.05
Renal and urinary disorders
6.65
Respiratory, thoracic and mediastinal disorders
4.45
Cardiac disorders
3.31
Investigations
3.06
Vascular disorders
2.94
Psychiatric disorders
2.47
Infections and infestations
2.41
Injury, poisoning and procedural complications
2.26
Metabolism and nutrition disorders
2.17

Cross References

Resources Reference
CAS NUMBER 1953-02-2
ChEBI 32229
ChEMBL CHEMBL1314
DrugBank DB06823
DrugCentral 2676
EPA CompTox DTXSID4023678
FDA SRS C5W04GO61S
KEGG C12876
PubChem 5483
SureChEMBL SCHEMBL19989
ZINC ZINC03831551