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Compound Detail

CHEMBL2325384

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NC(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325384
Phase Preclinical
Structure Type MOL
InChI Key OUTCVBBRIOLIRM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.6
MW (Da)
4.54
ALogP
2
HBA
1
HBD
52.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8Cl3NO2
MW 316.57
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.00

Activity Summary

EC50 2 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 4.22 4.18 60000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 60000.0 nM 4.22 Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition o... 23313245
Plasmodium falciparum EC50 = 73000.0 nM 4.14 Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... 23313245

Literature References

PubMed DOI Target Context # Activities
23313245 10.1016/j.bmcl.2012.12.022 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine