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

CHEMBL85450

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
COc1ccc2[nH]c(O)c(/N=N/c3ccccc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL85450
Phase Preclinical
Structure Type MOL
InChI Key QTOGUQDTDAGNOJ-ISLYRVAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
4.30
ALogP
4
HBA
2
HBD
70.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N3O2
MW 267.29
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
15115396 10.1021/jm0304358 Cyclin-dependent kinase 2 1
21144622 10.1016/j.ejmech.2010.11.015 Unchecked 1

Data from ChEMBL 36 via Core Engine