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

CHEMBL356371

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
COc1cc2nc(-c3ccc(C)c(Br)c3)cc(O)c2cc1-c1cnco1

Basic Information

ChEMBL ID CHEMBL356371
Phase Preclinical
Structure Type MOL
InChI Key GLXOVZZBXQWVJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.3
MW (Da)
5.34
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15BrN2O3
MW 411.26
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inosine-5'-monophosphate dehydrogenase 2
CHEMBL2002
IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12565968 10.1016/s0960-894x(02)00944-7 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine