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Compound Detail

CHEMBL2393451

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CCOC(=O)c1c(-c2ccc(OC)cc2F)csc1N

Basic Information

ChEMBL ID CHEMBL2393451
Phase Preclinical
Structure Type MOL
InChI Key CWECPXDZTSQYHR-UHFFFAOYSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
3.32
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14FNO3S
MW 295.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.22

Activity Summary

IC50 2 meas. best 5.4
EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
EC50 8.0 8.0 10.0 1
Protein kinase C zeta type
CHEMBL3438
IC50 5.4 5.4 4000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23566515 10.1016/j.bmcl.2013.03.019 Protein kinase C zeta type 4
23566515 10.1016/j.bmcl.2013.03.019 Unchecked 1

Data from ChEMBL 36 via Core Engine