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

CHEMBL36888

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
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)/C(=C/C(=O)[O-])[C@H]2SC1.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36888
Phase Preclinical
Structure Type MOL
InChI Key LSXKEDJGJFPNSA-AHSLQULLSA-L
Parent Compound CHEMBL1204968
Active Moiety CHEMBL1204968
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
-0.19
ALogP
6
HBA
2
HBD
121.2
PSA (Ų)
0.42
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 C12H9NNa2O7S
MW 357.25
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00249-S Beta-lactamase 2
- 10.1016/0960-894X(95)00249-S Beta-lactamase TEM 1

Data from ChEMBL 36 via Core Engine