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Compound Detail

CHEMBL4594015

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CN(C)c1ccc(/C=C/C(=O)c2cccc(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594015
Phase Preclinical
Structure Type MOL
InChI Key VZXBTKOMYVEZHM-DHZHZOJOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
3.35
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO2
MW 267.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.20

Activity Summary

EC50 1 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 EC50 4.54 4.54 28600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi EC50 = 28600.0 nM 4.54 Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected i... 31000155

Literature References

PubMed DOI Target Context # Activities
31000155 10.1016/j.bmcl.2019.04.020 Trypanosoma cruzi 1
31000155 10.1016/j.bmcl.2019.04.020 L929 1
31000155 10.1016/j.bmcl.2019.04.020 Unchecked 1

Data from ChEMBL 36 via Core Engine