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Compound Detail

CHEMBL3702549

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Nc1scc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCOCC1

Basic Information

ChEMBL ID CHEMBL3702549
Phase Preclinical
Structure Type MOL
InChI Key IPBYVADTPAHBJS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)
3.78
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14Cl2N2O2S
MW 357.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C zeta type IC50 = 3000.0 nM 5.52 Luminescence-Based Kinase Assay: IC50 values were determined using an in vitro l... -

Data from ChEMBL 36 via Core Engine