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Compound Detail

CHEMBL192056

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COc1ccc(/C=C\c2cc(C)c(C)c(C)c2)cc1F

Basic Information

ChEMBL ID CHEMBL192056
Phase Preclinical
Structure Type MOL
InChI Key MZVXBMQFWPMYED-WAYWQWQTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
4.93
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19FO
MW 270.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.44

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tubulin beta-1 chain
CHEMBL1915
IC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tubulin beta-1 chain IC50 = 700.0 nM 6.16 Concentration required for 50% inhibition of tubulin polymerization 15658859

Literature References

PubMed DOI Target Context # Activities
15658859 10.1021/jm049444m Tubulin beta-1 chain 1

Data from ChEMBL 36 via Core Engine