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Compound Detail

CHEMBL187024

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CN(C1=C(c2c[nH]c3ccccc23)C(=O)NC1=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL187024
Phase Preclinical
Structure Type MOL
InChI Key OWXLNPQDZKOGNB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.67
ALogP
3
HBA
2
HBD
65.2
PSA (Ų)
0.73
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 C19H15N3O2
MW 317.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C beta type
CHEMBL3045
IC50 6.03 6.03 939.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C beta type IC50 = 939.0 nM 6.03 Inhibitory concentration against recombinant human Protein kinase C beta 2 15380221

Literature References

PubMed DOI Target Context # Activities
15380221 10.1016/j.bmcl.2004.07.061 Protein kinase C beta type 1

Data from ChEMBL 36 via Core Engine