Structure

InChI Key DAEPDZWVDSPTHF-UHFFFAOYSA-M
Smile CC(=O)C(=O)[O-].[Na+]
InChI
InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3NaO3
Molecular Weight 110.04
AlogP -0.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 54.37
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 6.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 14500 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 1 D001249 ClinicalTrials
Cystic Fibrosis 1 D003550 ClinicalTrials

Cross References

Resources Reference
ChEBI 50144
ChEMBL CHEMBL181886
EPA CompTox DTXSID6040614
FDA SRS POD38AIF08
SureChEMBL SCHEMBL18226