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Compound Detail

CHEMBL2393447

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CCOC(=O)c1c(-c2ccc(N)cc2)csc1N

Basic Information

ChEMBL ID CHEMBL2393447
Phase Preclinical
Structure Type MOL
InChI Key ZRXWNOGVCDTEHB-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
2.76
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.66
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 C13H14N2O2S
MW 262.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.87

Activity Summary

EC50 2 meas. best 9.0
IC50 2 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
EC50 9.0 9.0 1.0 1
Unchecked
CHEMBL612545
EC50 6.57 6.57 270.0 1
Protein kinase C zeta type
CHEMBL3438
IC50 5.7 5.7 2000.0 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