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

CHEMBL303038

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=C1NC(=S)S/C1=C\c1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303038
Phase Preclinical
Structure Type MOL
InChI Key CTTRUEBEEFZQBL-YVMONPNESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.08
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.38
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 C10H6N2O3S2
MW 266.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -2.08

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25462237 10.1016/j.ejmech.2014.10.042 NON-PROTEIN TARGET 2
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase 1
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase TEM 1
20185317 10.1016/j.bmc.2010.02.001 LL-diaminopimelate aminotransferase, chloroplastic 1
25462237 10.1016/j.ejmech.2014.10.042 Vero 1

Data from ChEMBL 36 via Core Engine