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Compound Detail

CHEMBL293223

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C[C@@]1(CCl)S[C@@H]2[C@@H](Br)C(=O)N2[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293223
Phase Preclinical
Structure Type MOL
InChI Key RXBJCDPRAUPSIB-QXCXTELSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.6
MW (Da)
1.12
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.61
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 C8H9BrClNO3S
MW 314.59
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.72

Activity Summary

IC50 1 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