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Compound Detail

CHEMBL64868

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C[C@]1(CCl)[C@H](C(=O)O)N2C(=O)[C@H](Br)[C@H]2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64868
Phase Preclinical
Structure Type MOL
InChI Key SLPDINXXXOXNTC-QXCXTELSSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.6
MW (Da)
-0.20
ALogP
4
HBA
1
HBD
91.8
PSA (Ų)
0.55
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 C8H9BrClNO5S
MW 346.59
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.34

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00348-W Beta-lactamase 1 2

Data from ChEMBL 36 via Core Engine