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Compound Detail

CHEMBL3357571

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COc1cc2oc3cc(O)cc(O)c3c(=O)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357571
Phase Preclinical
Structure Type MOL
InChI Key LOZIYAQUVDQPDB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

288.2
MW (Da)
2.37
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.70
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 C15H12O6
MW 288.25
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 1.20

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25322455 10.1021/np5002797 NON-PROTEIN TARGET 1
29609121 10.1016/j.ejmech.2018.03.072 MCF7 1
29609121 10.1016/j.ejmech.2018.03.072 HepG2 1
29609121 10.1016/j.ejmech.2018.03.072 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine