Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2325393

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(Nc1ccccc1)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325393
Phase Preclinical
Structure Type MOL
InChI Key OCWMAHLLRCLAHY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.7
MW (Da)
7.08
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.49
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 C19H13Cl3N2O2
MW 407.68
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.51

Activity Summary

EC50 2 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.14 6.03 730.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 730.0 nM 6.14 Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... 23313245
Plasmodium falciparum EC50 = 1200.0 nM 5.92 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