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Compound Detail

CHEMBL10703

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COc1ccc(C(C)c2cc3c(cc2OC)OCO3)cc1

Basic Information

ChEMBL ID CHEMBL10703
Phase Preclinical
Structure Type MOL
InChI Key NBIHTBVOSDHTJS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
3.58
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.86
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 C17H18O4
MW 286.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.16

Activity Summary

IC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tubulin
CHEMBL2094134
IC50 5.6 5.6 2500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tubulin IC50 = 2500.0 nM 5.6 Inhibition of glutamate-dependent tubulin polymerization at 30 degrees C(0.25 mM... 1552500

Literature References

PubMed DOI Target Context # Activities
2821258 10.1021/jm00393a012 Mus musculus 8
2821258 10.1021/jm00393a012 NON-PROTEIN TARGET 6
1552500 10.1021/jm00084a011 Tubulin 3

Data from ChEMBL 36 via Core Engine