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

CHEMBL109622

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
COc1ccc2c(c1)C(=O)C(c1[nH]c3ccccc3c1O)=N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109622
Phase Preclinical
Structure Type MOL
InChI Key UGWXVSXCBORUOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
3.20
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N2O3
MW 292.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
15163202 10.1021/jm030561b Cyclin-dependent kinase 5/CDK5 activator 1 1
15163202 10.1021/jm030561b Cyclin-dependent kinase 1/cyclin B 1
15163202 10.1021/jm030561b Glycogen synthase kinase-3 1

Data from ChEMBL 36 via Core Engine