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Compound Detail

CHEMBL51708

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Cc1ccc2c(c1)c(C1=C(c3cn(C)c4ccccc34)C(=O)NC1=O)cn2C

Basic Information

ChEMBL ID CHEMBL51708
Phase Preclinical
Structure Type MOL
InChI Key VEDDMJVAGLMJHD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
3.55
ALogP
4
HBA
1
HBD
56.0
PSA (Ų)
0.55
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 C23H19N3O2
MW 369.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.35

Activity Summary

IC50 2 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C gamma type
CHEMBL3604
IC50 6.77 6.77 170.0 1
Unchecked
CHEMBL612545
IC50 4.94 4.94 11500.0 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