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

CHEMBL314092

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(N(C)Cc3ccc(-c4ccccc4)cc3)nc(Cl)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314092
Phase Preclinical
Structure Type MOL
InChI Key VAOIPTZMKZEBOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.9
MW (Da)
5.36
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN5
MW 391.91
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.99

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