Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL462931

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=[N+]([O-])OC(CO)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462931
Phase Preclinical
Structure Type MOL
InChI Key QYZBMMOLPVKAPU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

137.1
MW (Da)
-1.45
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C3H7NO5
MW 137.09
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.55

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19406636 10.1016/j.bmcl.2008.04.057 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine