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Compound Detail

CHEMBL425546

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CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425546
Phase Preclinical
Structure Type MOL
InChI Key QHXAANLQXKLJSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
1.92
ALogP
8
HBA
2
HBD
88.0
PSA (Ų)
0.73
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 C19H23N7O
MW 365.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
15801831 10.1021/jm049354h Cyclin-dependent kinase 4/cyclin D 1
15801831 10.1021/jm049354h Cyclin-dependent kinase 2/cyclin A 1

Data from ChEMBL 36 via Core Engine