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Compound Detail

CHEMBL145125

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CCOc1ccc(-c2ccc(OC)c(OC)c2OC)ccc1=O

Basic Information

ChEMBL ID CHEMBL145125
Phase Preclinical
Structure Type MOL
InChI Key BANKXRMPRHVDSS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.14
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20O5
MW 316.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.12

Activity Summary

IC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.24 5.24 5700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5700.0 nM 5.24 Concentration was evaluated for its ability to inhibit microtubule assembly and ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81108-2 Unchecked 1

Data from ChEMBL 36 via Core Engine