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

CHEMBL195572

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
CC/C(=C/c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195572
Phase Preclinical
Structure Type MOL
InChI Key PLSALUSSHGAGQA-ZROIWOOFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
4.38
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24O5
MW 344.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.44

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tubulin beta-1 chain
CHEMBL1915
 IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tubulin beta-1 chain IC50 = 130.0 nM 6.89 Concentration required for 50% inhibition of tubulin polymerization 15658859

Literature References

PubMed DOI Target Context # Activities
15658859 10.1021/jm049444m Tubulin beta-1 chain 1

Data from ChEMBL 36 via Core Engine