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Compound Detail

CHEMBL402439

XANTHOSINE
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OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL402439
Name XANTHOSINE
Phase Preclinical
Structure Type MOL
InChI Key UBORTCNDUKBEOP-UUOKFMHZSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

284.2
MW (Da)
-2.15
ALogP
10
HBA
5
HBD
154.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12N4O6
MW 284.23
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.92

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
3862866 10.1021/jm00148a018 Erythroleukemia cell line 2
17296608 10.1074/jbc.m611432200 Bacillus anthracis 2
20921305 10.1128/aac.01029-10 Bacillus anthracis 2
20921305 10.1128/aac.01029-10 J774.A1 1

Data from ChEMBL 36 via Core Engine