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Compound Detail

CHEMBL3702550

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

Basic Information

ChEMBL ID CHEMBL3702550
Phase Preclinical
Structure Type MOL
InChI Key CRXGEGYGRHUOJY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.2
MW (Da)
4.05
ALogP
3
HBA
2
HBD
55.1
PSA (Ų)
0.90
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 C13H12Cl2N2OS
MW 315.23
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C zeta type IC50 = 5000.0 nM 5.3 Luminescence-Based Kinase Assay: IC50 values were determined using an in vitro l... -

Data from ChEMBL 36 via Core Engine