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Compound Detail

CHEMBL54209

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Cc1cccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c1

Basic Information

ChEMBL ID CHEMBL54209
Phase Preclinical
Structure Type MOL
InChI Key LHGRZBUIYQSMLQ-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.05
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.74
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 C20H16N2O2
MW 316.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.50

Activity Summary

IC50 3 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 6.22 6.1 600.0 2
Protein kinase C gamma type
CHEMBL3604
IC50 6.0 6.0 1000.0 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