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Compound Detail

CHEMBL68578

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N#Cc1ccc(/C=C2\SC(=S)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL68578
Phase Preclinical
Structure Type MOL
InChI Key KQZYUFUWQRAWLE-UITAMQMPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.05
ALogP
4
HBA
1
HBD
52.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H6N2OS2
MW 246.32
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -2.02

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22077389 10.1021/jm201243p Unchecked 3
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
22077389 10.1021/jm201243p Prothrombin 1
25462237 10.1016/j.ejmech.2014.10.042 Vero 1

Data from ChEMBL 36 via Core Engine