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Compound Detail

CHEMBL256265

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Cc1[nH]c2ccccc2c1C1=C(c2cn(CCCN)c3ccccc23)C(=O)NC1=O

Basic Information

ChEMBL ID CHEMBL256265
Phase Preclinical
Structure Type MOL
InChI Key GXVCWOGISVFNLY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
3.35
ALogP
4
HBA
3
HBD
92.9
PSA (Ų)
0.45
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 C24H22N4O2
MW 398.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.50

Activity Summary

IC50 2 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
IC50 6.12 6.12 750.0 2

Activity Data Samples

Top measurements by pChEMBL value

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
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