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Compound Detail

CHEMBL1205174

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O=C1C=C(S(=O)(=O)O)c2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL1205174
Phase Preclinical
Structure Type MOL
InChI Key PZTGRDMCBZUJDL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
0.68
ALogP
4
HBA
1
HBD
88.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H6O5S
MW 238.22
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.51

Activity Summary

Ki 1 meas. best 3.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 3.0 3.0 1000000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 1000000.0 nM 3.0 Inhibition of beta lactamase CTX-M assessed as hydrolysis of beta lactam by spec... 19305397

Literature References

PubMed DOI Target Context # Activities
19305397 10.1038/nchembio.155 Unchecked 2

Data from ChEMBL 36 via Core Engine