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Compound Detail

CHEMBL2393427

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COc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2)cc1OC

Basic Information

ChEMBL ID CHEMBL2393427
Phase Preclinical
Structure Type MOL
InChI Key DXFCCKZJJXVRFH-UHFFFAOYSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.37
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19NO4S
MW 369.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.60

Activity Summary

IC50 2 meas. best 5.22
EC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
EC50 8.7 8.7 2.0 1
Protein kinase C zeta type
CHEMBL3438
IC50 5.22 5.22 6000.0 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