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Compound Detail

CHEMBL402013

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CN1C(=O)C(c2c[nH]c3ccc(Br)cc23)=C(c2cn(CCCN)c3ccccc23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL402013
Phase Preclinical
Structure Type MOL
InChI Key TVRYIMJKOGUUPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.4
MW (Da)
4.14
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.42
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 C24H21BrN4O2
MW 477.36
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.51

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