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

CHEMBL133649

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
COc1cccc(/C=N/NC(=O)NO)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133649
Phase Preclinical
Structure Type MOL
InChI Key BYAQJJZQWVUAHI-UXBLZVDNSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

209.2
MW (Da)
0.72
ALogP
4
HBA
3
HBD
83.0
PSA (Ų)
0.39
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 C9H11N3O3
MW 209.21
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.34

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
11784145 10.1021/jm010252q No relevant target 2
11784145 10.1021/jm010252q L1210 1
14521406 10.1021/jm030016a L1210 1
21536434 10.1016/j.bmcl.2011.04.009 L1210 1

Data from ChEMBL 36 via Core Engine