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Compound Detail

CHEMBL2325375

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O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325375
Phase Preclinical
Structure Type MOL
InChI Key VKYHEGGAEBFWJM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

510.1
MW (Da)
8.76
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.37
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H11Cl4F3N2O2
MW 510.13
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.81

Activity Summary

EC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.7 6.7 200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 200.0 nM 6.7 Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... 23313245
Plasmodium falciparum EC50 = 200.0 nM 6.7 Antimalarial activity against Plasmodium falciparum Dd2 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