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

CHEMBL131954

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
CC(=O)Nc1ccc(/C=N/NC(=O)NO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131954
Phase Preclinical
Structure Type MOL
InChI Key QLOJCGWGXKGCNP-IZZDOVSWSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

236.2
MW (Da)
0.67
ALogP
4
HBA
4
HBD
102.8
PSA (Ų)
0.35
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 C10H12N4O3
MW 236.23
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.58

Activity Summary

IC50 2 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

Data from ChEMBL 36 via Core Engine