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Compound Detail

CHEMBL258391

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CCCCN(CCCC)c1ccc2[nH]nc(NC(=O)Cc3ccccc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258391
Phase Preclinical
Structure Type MOL
InChI Key FWVPTQWJTSGJSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
5.15
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N4O
MW 378.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
18353638 10.1016/j.bmcl.2008.03.002 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine