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Compound Detail

CHEMBL54425

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Cn1cc(C2=C(c3ccccc3)C(=O)NC2=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL54425
Phase Preclinical
Structure Type MOL
InChI Key AXRADSPPGKCCQJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.75
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 C19H14N2O2
MW 302.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C gamma type
CHEMBL3604
IC50 5.11 5.11 7700.0 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
18334295 10.1016/j.bmcl.2008.02.058 Calcium/calmodulin-dependent protein kinase type II subunit delta 1

Data from ChEMBL 36 via Core Engine