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Compound Detail

CHEMBL3319018

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CCOC(=O)c1cc2c(n1CC)C(=O)C(Oc1ccc(C)cc1)=CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3319018
Phase Preclinical
Structure Type MOL
InChI Key OWKOYAQHVXYQMO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
3.34
ALogP
6
HBA
0
HBD
74.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19NO5
MW 353.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.25

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi IC50 = 20.0 nM 7.7 Trypanocidal activity against Trypanosoma cruzi Y epimastigotes infected in mous... 25008454

Literature References

PubMed DOI Target Context # Activities
25008454 10.1016/j.bmcl.2014.06.044 Trypanosoma cruzi 2
25008454 10.1016/j.bmcl.2014.06.044 J774 1

Data from ChEMBL 36 via Core Engine