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Compound Detail

CHEMBL2393452

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CCOC(=O)c1c(-c2ccc(OC)c(F)c2)csc1N

Basic Information

ChEMBL ID CHEMBL2393452
Phase Preclinical
Structure Type MOL
InChI Key UGEFWTARRKFURL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
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 -1.31

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C zeta type IC50 = 17000.0 nM 4.77 Luminescence-Based Kinase Assay: IC50 values were determined using an in vitro l... -

Literature References

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

Data from ChEMBL 36 via Core Engine