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Compound Detail

CHEMBL2236793

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CCNC[C@H]1Cc2c(C3=C(Nc4ccccc4)C(=O)NC3=O)c3ccccc3n2C1

Basic Information

ChEMBL ID CHEMBL2236793
Phase Preclinical
Structure Type MOL
InChI Key HRPFUNZPKWWWBM-OAHLLOKOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
2.90
ALogP
5
HBA
3
HBD
75.2
PSA (Ų)
0.56
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 C24H24N4O2
MW 400.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.18

Activity Summary

IC50 2 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C beta type
CHEMBL3045
IC50 8.62 8.615 2.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C beta type IC50 = 2.4 nM 8.62 Inhibition of PKCbeta2 (unknown origin) -
Protein kinase C beta type IC50 = 2.455 nM 8.61 Inhibition of PKCbeta2 (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9439-6 Protein kinase C beta type 2

Data from ChEMBL 36 via Core Engine