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

CHEMBL4083833

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
Nc1nc(N)c(/N=N/c2ccc(C(=O)O)cc2)c(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4083833
Phase Preclinical
Structure Type MOL
InChI Key KJXBXATYKAWGBL-ISLYRVAYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
1.34
ALogP
8
HBA
4
HBD
165.9
PSA (Ų)
0.61
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 C11H11N7O2
MW 273.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.54

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
28739043 10.1016/j.bmcl.2017.07.035 Myocilin 2
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296182 Candida albicans 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine