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Compound Detail

CHEMBL3740894

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COc1ccc2c(=O)c(C)c(-c3cccc(-c4ccc(OC(F)(F)F)cc4)n3)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3740894
Phase Preclinical
Structure Type MOL
InChI Key WQPZZSCYMBWRJR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.4
MW (Da)
5.47
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17F3N2O3
MW 426.39
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.83 6.83 149.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 149.0 nM 6.83 Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00062A Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine