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Quick search ChEMBL 36
Compound Detail

CHEMBL225537

OENOSTACIN
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COC(=O)CC/C=C/c1c(O)cc(C(=O)O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225537
Name OENOSTACIN
Phase Preclinical
Structure Type MOL
InChI Key HFXCUKYRDKFGCX-DUXPYHPUSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

266.2
MW (Da)
1.76
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H14O6
MW 266.25
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.25

Activity Summary

EC50 2 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
 EC50 6.92 6.92 120.0 1
Staphylococcus epidermidis
CHEMBL353
 EC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Staphylococcus epidermidis EC50 = 120.0 nM 6.92 Antibacterial activity against Staphylococcus epidermidis 17035037
Staphylococcus aureus EC50 = 120.0 nM 6.92 Antibacterial activity against Staphylococcus aureus 17035037

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