Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3329415

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc2cc(-c3ccc(OC)c(OC)c3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3329415
Phase Preclinical
Structure Type MOL
InChI Key FHJQOCLAIITXLM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
4.53
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.71
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 C19H18O3
MW 294.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.12

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