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

CHEMBL596037

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
O=C1Nc2c(Br)cc([N+](=O)[O-])cc2/C1=C1/Nc2ccccc2/C1=N\O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596037
Phase Preclinical
Structure Type MOL
InChI Key XXWJDXSWYIQCHN-FQJRYBMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

401.2
MW (Da)
3.32
ALogP
6
HBA
3
HBD
116.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9BrN4O4
MW 401.18
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
19665384 10.1016/j.bmc.2009.07.051 Unchecked 2
19665384 10.1016/j.bmc.2009.07.051 Cyclin-dependent kinase 5/CDK5 activator 1 1
19665384 10.1016/j.bmc.2009.07.051 Glycogen synthase kinase-3 1
19665384 10.1016/j.bmc.2009.07.051 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine