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Compound Detail

CHEMBL255607

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NCCc1cn(C2=C(c3c[nH]c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc12

Basic Information

ChEMBL ID CHEMBL255607
Phase Preclinical
Structure Type MOL
InChI Key UPHCEKNUUNYTFE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
3.30
ALogP
4
HBA
3
HBD
92.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17ClN4O2
MW 404.86
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
IC50 8.0 8.0 10.0 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 = 10.0 nM 8.0 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