PYRUVATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8558G7RUTR

Structure
InChI Key LCTONWCANYUPML-UHFFFAOYSA-N
Smile CC(=O)C(=O)O
InChI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4O3
Molecular Weight 88.06
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 Transferase
- - - - 15.92
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -10.91--10.78
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC16 family of monocarboxylate transporters
- - - 80000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - 26000000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - 11900000-12022644.35 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glaucoma, Open-Angle 2 D005902 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials

Cross References

Resources Reference
ChEBI 32816
ChEMBL CHEMBL1162144
DrugBank DB00119
EPA CompTox DTXSID2021650
FDA SRS 8558G7RUTR
Human Metabolome Database HMDB00243
Guide to Pharmacology 4809
KEGG C00022
PDB PYR
PharmGKB PA164778686
PubChem 1060
SureChEMBL SCHEMBL1750
ZINC ZINC000001532517
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