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Compound Detail

CHEMBL2393437

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CCNC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N

Basic Information

ChEMBL ID CHEMBL2393437
Phase Preclinical
Structure Type MOL
InChI Key IDVAPOIEFWYEGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
2.76
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N2O3S
MW 306.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

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

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C zeta type IC50 = 4000.0 nM 5.4 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