Structure

InChI Key FFEARJCKVFRZRR-BYPYZUCNSA-N
Smile CSCC[C@H](N)C(=O)O
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11NO2S
Molecular Weight 149.22
AlogP 0.15
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 61000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Diseases 3 D008107 ClinicalTrials
Jaundice, Obstructive 3 D041781 ClinicalTrials
Hearing Loss, Noise-Induced 3 D006317 ClinicalTrials
Hepatitis 3 D006505 ClinicalTrials
Ependymoma 2 D004806 ClinicalTrials
Craniopharyngioma 2 D003397 ClinicalTrials
Hot Flashes 2 D019584 ClinicalTrials
Rhabdomyosarcoma 2 D012208 ClinicalTrials
Hepatitis C, Chronic 2 D019698 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Pulmonary Alveolar Proteinosis 1 D011649 ClinicalTrials
Abdominal Pain 1 D015746 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 63-68-3
ChEBI 57844
ChEMBL CHEMBL42336
DrugBank DB00134
DrugCentral 3347
EPA CompTox DTXSID5040548
FDA SRS AE28F7PNPL
Human Metabolome Database HMDB0000696
Guide to Pharmacology 4814
KEGG C00073
PDB MET
PharmGKB PA450423
PubChem 6137
SureChEMBL SCHEMBL4226
ZINC ZINC000001532529