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Compound Detail

CHEMBL395085

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CN(C)C(=O)C1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395085
Phase Preclinical
Structure Type MOL
InChI Key YVVQSZLGJUIREJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
4.48
ALogP
6
HBA
1
HBD
104.7
PSA (Ų)
0.48
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 C25H25N5O4
MW 459.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
17303416 10.1016/j.bmcl.2007.01.094 Dual specificity protein phosphatase 22 1

Data from ChEMBL 36 via Core Engine