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Compound Detail

CHEMBL297299

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COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC(C)=O

Basic Information

ChEMBL ID CHEMBL297299
Phase Preclinical
Structure Type MOL
InChI Key FKCWULMKUVIBII-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.88
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.43
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 C19H20O7
MW 360.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.23

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tubulin
CHEMBL2094134
IC50 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tubulin IC50 = 3500.0 nM 5.46 The compound was tested for the concentration to inhibit 50% of tubulin polymeri... 9572894

Literature References

PubMed DOI Target Context # Activities
9572894 10.1021/jm970644q Tubulin 1
9572894 10.1021/jm970644q Unchecked 1

Data from ChEMBL 36 via Core Engine