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

CHEMBL1210420

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
COc1cc(C(=O)C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1210420
Phase Preclinical
Structure Type MOL
InChI Key AHSHEVXKJOEPSA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.3
MW (Da)
5.88
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18Cl2O5
MW 469.32
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.06

Activity Summary

IC50 2 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 IC50 6.14 6.14 720.0 1
Tubulin
CHEMBL2111354
 IC50 5.79 5.79 1620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 IC50 = 720.0 nM 6.14 Antiproliferative activity against human K562 cells after 48 hrs 20537765
Tubulin IC50 = 1620.0 nM 5.79 Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry 20537765

Literature References

PubMed DOI Target Context # Activities
20537765 10.1016/j.ejmech.2010.04.032 K562 1
20537765 10.1016/j.ejmech.2010.04.032 Tubulin 1

Data from ChEMBL 36 via Core Engine