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Compound Detail

CHEMBL1213178

ALLOPURINOL RIBOSIDE
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O=c1ncnc2n([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)[nH]cc1-2

Basic Information

ChEMBL ID CHEMBL1213178
Name ALLOPURINOL RIBOSIDE
Phase Preclinical
Structure Type MOL
InChI Key UKNHQPDCWMADJW-QFNGTQGLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

268.2
MW (Da)
-2.32
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.48
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 C10H12N4O5
MW 268.23
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 1.01

Activity Summary

IC50 2 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania donovani
CHEMBL367
IC50 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania donovani IC50 = 4000.0 nM 5.4 Antimicrobial activity against Leishmania donovani 20185316

Literature References

PubMed DOI Target Context # Activities
20921305 10.1128/aac.01029-10 Bacillus anthracis 2
20185316 10.1016/j.bmc.2010.01.068 Leishmania donovani 1
20921305 10.1128/aac.01029-10 J774.A1 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine