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Compound Detail

CHEMBL304855

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CC1(C)[C@H](C(=O)O)N2C(=O)[C@H](Cl)[C@H]2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304855
Phase Preclinical
Structure Type MOL
InChI Key FDCNRFPOQKKBGS-RVJQKOHUSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.7
MW (Da)
-0.58
ALogP
4
HBA
1
HBD
91.8
PSA (Ų)
0.51
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 C8H10ClNO5S
MW 267.69
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.48

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