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Compound Detail

CHEMBL5947937

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CCN[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4ccccc4)nc23)nc(C(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5947937
Phase Preclinical
Structure Type MOL
InChI Key JLGOIBMTTVSCGE-SFHVURJKSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
4.31
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N6O
MW 442.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.22

Activity Summary

EC50 1 meas. best 7.71
IC50 1 meas. best 8.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.34 8.34 4.6 1
Unchecked
CHEMBL612545
 EC50 7.71 7.71 19.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4.61 nM 8.34 CaMKII delta Biochemical Assay: The biochemical activity of recombinant CaMKIIδ ... -
Unchecked EC50 = 19.5 nM 7.71 CaMKII Cell-Based Activity: CaMKII activity in neonatal rat ventricular myocytes... -

Data from ChEMBL 36 via Core Engine