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

CHEMBL441733

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=C1Cc2c(oc3ccc(Br)cc23)-c2ccccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441733
Phase Preclinical
Structure Type MOL
InChI Key JIOLMXHWCLOSJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

328.2
MW (Da)
4.36
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10BrNO2
MW 328.17
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
18345612 10.1021/jm701582f Glycogen synthase kinase-3 1
18345612 10.1021/jm701582f Cyclin-dependent kinase 5/CDK5 activator 1 1
18345612 10.1021/jm701582f Unchecked 1

Data from ChEMBL 36 via Core Engine