Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL539688

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)n1cnc2c(NC3Cc4ccccc4C3)nc(N(CCO)CCO)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539688
Phase Preclinical
Structure Type MOL
InChI Key JEKQXAXCDHMXOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
1.78
ALogP
8
HBA
3
HBD
99.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N6O2
MW 396.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.75

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