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Compound Detail

CHEMBL256460

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CNCCc1cn(C2=C(c3c[nH]c4ccc(C(=O)NC)cc34)C(=O)NC2=O)c2ccccc12

Basic Information

ChEMBL ID CHEMBL256460
Phase Preclinical
Structure Type MOL
InChI Key JTJHGZCMMYEIKY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
2.27
ALogP
5
HBA
4
HBD
108.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N5O3
MW 441.49
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.31

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
IC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Calcium/calmodulin-dependent protein kinase type II subunit delta IC50 = 280.0 nM 6.55 Inhibition of CaMK2delta 18337095

Literature References

PubMed DOI Target Context # Activities
18337095 10.1016/j.bmcl.2008.02.057 Calcium/calmodulin-dependent protein kinase type II subunit delta 1

Data from ChEMBL 36 via Core Engine