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Compound Detail

CHEMBL213924

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CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(F)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL213924
Phase Preclinical
Structure Type MOL
InChI Key UGGRJZORHGIBNC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.87
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.75
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 C20H20FNO2
MW 325.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.71

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tubulin
CHEMBL2111354
 IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tubulin IC50 = 17000.0 nM 4.77 Inhibition of tubulin polymerization in porcine brain 16870433

Literature References

PubMed DOI Target Context # Activities
16870433 10.1016/j.bmcl.2006.06.091 Tubulin 2

Data from ChEMBL 36 via Core Engine