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Compound Detail

CHEMBL1464327

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Nc1cnn(C2OC(CO)C(O)C2O)c(=O)n1

Basic Information

ChEMBL ID CHEMBL1464327
Phase Preclinical
Structure Type MOL
InChI Key OZQDLJNDRVBCST-UHFFFAOYSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
-3.17
ALogP
9
HBA
4
HBD
143.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H12N4O5
MW 244.21
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.93

Activity Summary

EC50 2 meas. best 4.85
IC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.72 5.72 1910.0 1
Unchecked
CHEMBL612545
EC50 4.85 4.84 14257.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4513161 Candida albicans 1
- 10.6019/CHEMBL4513161 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513161 Escherichia coli 1
- 10.6019/CHEMBL4513161 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513161 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513161 Staphylococcus aureus 1
- 10.6019/CHEMBL4513161 Erythrocyte 1
- 10.6019/CHEMBL4513161 HEK293 1

Data from ChEMBL 36 via Core Engine