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Compound Detail

CHEMBL4764796

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CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4764796
Phase Preclinical
Structure Type MOL
InChI Key FTSBJOBESZTYIW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

470.9
MW (Da)
3.98
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14ClF3N4O3S
MW 470.86
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.74

Activity Summary

EC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 130.0 nM 6.89 Antimalarial activity against sulphadoxine-resistant blood stage Plasmodium falc... 31911293

Literature References

PubMed DOI Target Context # Activities
31911293 10.1016/j.ejmech.2019.112012 Plasmodium falciparum 1
31911293 10.1016/j.ejmech.2019.112012 Unchecked 1

Data from ChEMBL 36 via Core Engine