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Compound Detail

CHEMBL223288

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Cc1cc(O)c(C=O)c(O)c1

Basic Information

ChEMBL ID CHEMBL223288
Phase Preclinical
Structure Type MOL
InChI Key JASONGFGOLHLGB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

152.2
MW (Da)
1.22
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.59
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 C8H8O3
MW 152.15
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.87

Activity Summary

EC50 2 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
EC50 5.79 5.79 1640.0 1
Staphylococcus epidermidis
CHEMBL353
EC50 5.79 5.79 1640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17035037 10.1016/j.bmc.2006.09.034 Staphylococcus epidermidis 1
17035037 10.1016/j.bmc.2006.09.034 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine