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Compound Detail

CHEMBL301389

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Cn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL301389
Phase Preclinical
Structure Type MOL
InChI Key STTILKKNKXMNIF-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.90
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.56
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 C23H16N2O2
MW 352.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.29

Activity Summary

IC50 3 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 6.4 6.245 400.0 2
Protein kinase C gamma type
CHEMBL3604
IC50 6.09 6.09 810.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1732526 10.1021/jm00079a024 Unchecked 2
1732526 10.1021/jm00079a024 Protein kinase C (PKC) 2
1732526 10.1021/jm00079a024 cAMP-dependent protein kinase catalytic subunit alpha 2
1732526 10.1021/jm00079a024 Protein kinase C gamma type 1

Data from ChEMBL 36 via Core Engine