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Compound Detail

CHEMBL490514

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COc1cc(O)c(C(C)=O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490514
Phase Preclinical
Structure Type MOL
InChI Key GKSGTWUNURZTKD-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
1.31
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H10O4
MW 182.18
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.72

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
521818 10.1021/np50005a008 NON-PROTEIN TARGET 3
25581017 10.1021/jm5018187 Krueppel-like factor 10 2
27228055 10.1021/acs.jnatprod.6b00347 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine