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

CHEMBL10127

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
COc1ccc(CCCCc2cc(OC)c(OC)c(OC)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10127
Phase Preclinical
Structure Type MOL
InChI Key LJJCASYVBZTJCR-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.99
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26O5
MW 346.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.52

Activity Summary

IC50 4 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tubulin
CHEMBL2094134
 IC50 5.36 5.04 4400.0 3
Tubulin
CHEMBL2095182
 IC50 4.26 4.26 54954.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tubulin IC50 = 4400.0 nM 5.36 Inhibition of glutamate-dependent tubulin polymerization at 30 degrees C(0.25 mM... 1552500
Tubulin IC50 = 5800.0 nM 5.24 In vitro inhibition of purified bovine brain tubulin polymerisation in the absen... -
Tubulin IC50 = 30000.0 nM 4.52 Concentration required to inhibit the extent of glutamate-dependent tubulin poly... 1552500
Tubulin IC50 = 54954.09 nM 4.26 Inhibition of tubulin polymerization in Homo sapiens (human) solid tumor cells -

Literature References

PubMed DOI Target Context # Activities
1552500 10.1021/jm00084a011 Tubulin 4
- 10.1016/S0960-894X(01)81034-9 Tubulin 1
- 10.1007/s00044-012-0327-0 Tubulin 1

Data from ChEMBL 36 via Core Engine