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Compound Detail

CHEMBL499970

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COc1cc(CCc2ccc(OC)c(O)c2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL499970
Phase Preclinical
Structure Type MOL
InChI Key WOLBPQLCPNJXGD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
3.20
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H20O4
MW 288.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.42

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 6.0 6.0 1000.0 1
Unchecked
CHEMBL612545
 IC50 4.52 4.52 30000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 1000.0 nM 6.0 Cytotoxicity against mouse L1210 cells after 24 hrs 3404149
Unchecked IC50 = 30000.0 nM 4.52 Inhibition of microtubule assembly after 15 mins 3404149

Literature References

PubMed DOI Target Context # Activities
3404149 10.1021/np50057a011 Unchecked 4
3404149 10.1021/np50057a011 L1210 2
3404149 10.1021/np50057a011 P388 1

Data from ChEMBL 36 via Core Engine