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Compound Detail

CHEMBL55151

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Cn1cc(C2=C(c3cn(C)c4c(N)cccc34)C(=O)NC2=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL55151
Phase Preclinical
Structure Type MOL
InChI Key NCELDRHKRGURPC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.82
ALogP
5
HBA
2
HBD
82.0
PSA (Ų)
0.42
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 C22H18N4O2
MW 370.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.20

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C gamma type
CHEMBL3604
IC50 6.0 6.0 1000.0 1
Unchecked
CHEMBL612545
IC50 4.64 4.64 23000.0 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 gamma type 1

Data from ChEMBL 36 via Core Engine