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Compound Detail

CHEMBL5862004

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CCN[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4ccccc4)nc23)nc(C2CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5862004
Phase Preclinical
Structure Type MOL
InChI Key SZAHKDODACXYTJ-KRWDZBQOSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
4.06
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N6O
MW 440.55
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.27

Activity Summary

EC50 1 meas. best 7.82
IC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.82 7.82 15.3 1
Unchecked
CHEMBL612545
 IC50 7.02 7.02 94.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 15.3 nM 7.82 CaMKII Cell-Based Activity: CaMKII activity in neonatal rat ventricular myocytes... -
Unchecked IC50 = 94.7 nM 7.02 CaMKII delta Biochemical Assay: The biochemical activity of recombinant CaMKIIδ ... -

Data from ChEMBL 36 via Core Engine