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Compound Detail

CHEMBL356284

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COc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1OC

Basic Information

ChEMBL ID CHEMBL356284
Phase Preclinical
Structure Type MOL
InChI Key MLYGYDBWOFSVNG-SOFGYWHQSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.2
MW (Da)
4.91
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14Cl2O3
MW 337.20
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.58

Activity Summary

IC50 2 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.94 5.825 1140.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8544179 10.1021/jm00026a010 Plasmodium falciparum 2
8544179 10.1021/jm00026a010 Unchecked 1

Data from ChEMBL 36 via Core Engine