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Compound Detail

CHEMBL2325352

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O=C(Nc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325352
Phase Preclinical
Structure Type MOL
InChI Key PPQZVJHGTSEYIH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.3
MW (Da)
8.60
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.30
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 C24H15Cl2F3N2O2
MW 491.30
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.59

Activity Summary

EC50 2 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.39 6.3 410.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 410.0 nM 6.39 Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition o... 23313245
Plasmodium falciparum EC50 = 610.0 nM 6.21 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
23313245 10.1016/j.bmcl.2012.12.022 Plasmodium berghei 1

Data from ChEMBL 36 via Core Engine