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Compound Detail

CHEMBL4469010

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C=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nccc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469010
Phase Preclinical
Structure Type MOL
InChI Key VHNSJYUHUBLXPO-XIDUGBJDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
-0.13
ALogP
7
HBA
4
HBD
113.8
PSA (Ų)
0.63
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 C14H17N3O4
MW 291.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.16

Activity Summary

EC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 EC50 6.09 6.09 810.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi EC50 = 810.0 nM 6.09 Antitrypanosomal activity against Trypanosoma cruzi Tulahuen CL2 amastigotes inf... 31495177

Literature References

PubMed DOI Target Context # Activities
31495177 10.1021/acs.jmedchem.9b01275 Trypanosoma cruzi 2
31495177 10.1021/acs.jmedchem.9b01275 Unchecked 2
31495177 10.1021/acs.jmedchem.9b01275 L929 1

Data from ChEMBL 36 via Core Engine