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

CHEMBL338351

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=C(Nc1ccc(O)cc1)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338351
Phase Preclinical
Structure Type MOL
InChI Key ASBSPLWAZVMYMN-UXQCFNEQSA-M
Parent Compound CHEMBL1207028
Active Moiety CHEMBL1207028
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
0.01
ALogP
5
HBA
3
HBD
127.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N3NaO6S
MW 349.30
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-lactamase
CHEMBL5031
 IC50 6.81 6.81 155.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-lactamase IC50 = 155.0 nM 6.81 Inhibition of Pseudomonas aeruginosa 18SH Beta-lactamase. 9767633

Literature References

PubMed DOI Target Context # Activities
9767633 10.1021/jm980023c Beta-lactamase 8
9767633 10.1021/jm980023c Unchecked 2
9767633 10.1021/jm980023c Escherichia coli 1

Data from ChEMBL 36 via Core Engine