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Compound Detail

CHEMBL3330536

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COc1ccc2cc(-c3ccc(CC(=O)O)cc3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330536
Phase Preclinical
Structure Type MOL
InChI Key JQJQYMDTPHXNTH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
4.14
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16O3
MW 292.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.15

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25240702 10.1016/j.ejmech.2014.08.073 MDA-MB-231 1
25240702 10.1016/j.ejmech.2014.08.073 A549 1
25240702 10.1016/j.ejmech.2014.08.073 HeLa 1

Data from ChEMBL 36 via Core Engine