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Compound Detail

CHEMBL3317521

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COc1ccc(-c2oc3cc(OC)ccc3c(=O)c2OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3317521
Phase Preclinical
Structure Type MOL
InChI Key GJEOSFLNWGXQQO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
3.49
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.74
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 C18H16O5
MW 312.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.42

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25014747 10.1016/j.ejmech.2014.07.010 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine