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Compound Detail

CHEMBL5740310

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

Basic Information

ChEMBL ID CHEMBL5740310
Phase Preclinical
Structure Type MOL
InChI Key DNPDRDDDCZITGJ-HNNXBMFYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.9
MW (Da)
3.84
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23ClN6O
MW 434.93
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.40

Activity Summary

EC50 1 meas. best 7.86
IC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.86 7.86 13.8 1
Unchecked
CHEMBL612545
 IC50 7.77 7.77 17.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 13.8 nM 7.86 CaMKII Cell-Based Activity: CaMKII activity in neonatal rat ventricular myocytes... -
Unchecked IC50 = 17.1 nM 7.77 CaMKII delta Biochemical Assay: The biochemical activity of recombinant CaMKIIδ ... -

Data from ChEMBL 36 via Core Engine