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Compound Detail

CHEMBL306881

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O=C1NC(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])o2)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306881
Phase Preclinical
Structure Type MOL
InChI Key NZQGVDOVDKGZEF-YDCWOTKKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

266.2
MW (Da)
2.07
ALogP
6
HBA
1
HBD
102.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6N2O5S
MW 266.23
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
11012024 10.1016/s0960-894x(00)00444-3 Enterobacter cloacae 3
11012024 10.1016/s0960-894x(00)00444-3 Pseudomonas aeruginosa 2
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase 1
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase TEM 1
11012024 10.1016/s0960-894x(00)00444-3 Escherichia coli 1

Data from ChEMBL 36 via Core Engine