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

CHEMBL34981

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
COC(=O)/C=C1/C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34981
Phase Preclinical
Structure Type MOL
InChI Key GECLWPMCJVNKHU-ZDFSRXSCSA-M
Parent Compound CHEMBL1204918
Active Moiety CHEMBL1204918
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
-0.10
ALogP
7
HBA
1
HBD
110.2
PSA (Ų)
0.43
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 C13H12NNaO7S
MW 349.30
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.53

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