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Compound Detail

CHEMBL328316

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CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(NCc3ccco3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328316
Phase Preclinical
Structure Type MOL
InChI Key GNKUVYDEXQSCAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
5.89
ALogP
7
HBA
2
HBD
80.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N6O
MW 438.54
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10076-2 Cyclin-dependent kinase 2/cyclin E 1

Data from ChEMBL 36 via Core Engine