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Compound Detail

CHEMBL402774

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NCCCn1cc(C2=C(c3ccc4ccccc4n3)C(=O)NC2=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL402774
Phase Preclinical
Structure Type MOL
InChI Key DUWWFMMKHMLCDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.11
ALogP
5
HBA
2
HBD
90.0
PSA (Ų)
0.51
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 C24H20N4O2
MW 396.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.71

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