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Compound Detail

CHEMBL270648

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CN(C)Cc1cn(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc12

Basic Information

ChEMBL ID CHEMBL270648
Phase Preclinical
Structure Type MOL
InChI Key PYBNUOOANGAZTF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
3.21
ALogP
4
HBA
2
HBD
70.1
PSA (Ų)
0.53
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 C23H20N4O2
MW 384.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.35

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
IC50 5.62 5.62 2410.0 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 = 2410.0 nM 5.62 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