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

CHEMBL4872365

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
CNC(=O)c1nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872365
Phase Preclinical
Structure Type MOL
InChI Key AUIRANFWWHILHU-BFAGERDPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
-2.62
ALogP
10
HBA
5
HBD
168.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N6O5
MW 324.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.23

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 IC50 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi IC50 = 4000.0 nM 5.4 Antitrypanosomal activity against nifurtimox-sensitive Trypanosoma cruzi Tulahue... 33784107

Literature References

PubMed DOI Target Context # Activities
33784107 10.1021/acs.jmedchem.1c00135 Trypanosoma cruzi 1
33784107 10.1021/acs.jmedchem.1c00135 Unchecked 1
33784107 10.1021/acs.jmedchem.1c00135 ADMET 1
33784107 10.1021/acs.jmedchem.1c00135 Leishmania infantum 1
33784107 10.1021/acs.jmedchem.1c00135 Peritoneal macrophage 1

Data from ChEMBL 36 via Core Engine