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Compound Detail

CHEMBL5574700

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COc1c(O)ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc12

Basic Information

ChEMBL ID CHEMBL5574700
Phase Preclinical
Structure Type MOL
InChI Key ZWPBZVHIAQOYML-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.59
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H12O6
MW 300.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.27

Activity Summary

IC50 3 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 5.3 5.2 5000.0 2
RAW264.7
CHEMBL612557
IC50 4.56 4.56 27700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37683361 10.1016/j.ejmech.2023.115791 No relevant target 2
37683361 10.1016/j.ejmech.2023.115791 RAW264.7 1

Data from ChEMBL 36 via Core Engine