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Compound Detail

CHEMBL520226

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Cc1cc(I)ccc1Nc1cccc(F)c1C(=O)O

Basic Information

ChEMBL ID CHEMBL520226
Phase Preclinical
Structure Type MOL
InChI Key CZDVKBNPCLSXTF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.1
MW (Da)
4.18
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.80
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 C14H11FINO2
MW 371.15
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.29 6.29 518.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 518.0 nM 6.29 Inhibition of MEK-mediated phosphorylation of myelin basic protein by kinase cas... 18952427

Literature References

PubMed DOI Target Context # Activities
18952427 10.1016/j.bmcl.2008.10.054 Unchecked 1

Data from ChEMBL 36 via Core Engine