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Compound Detail

CHEMBL410536

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NCCCn1cc(C2=C(c3ccco3)C(=O)NC2=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL410536
Phase Preclinical
Structure Type MOL
InChI Key ZTMZTBMWLZJFHV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.15
ALogP
5
HBA
2
HBD
90.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O3
MW 335.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
IC50 5.83 5.83 1490.0 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 = 1490.0 nM 5.83 Inhibition of CaMK2delta 18334294

Literature References

PubMed DOI Target Context # Activities
18334294 10.1016/j.bmcl.2008.02.059 Calcium/calmodulin-dependent protein kinase type II subunit delta 1

Data from ChEMBL 36 via Core Engine