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Compound Detail

CHEMBL137882

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COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL137882
Phase Preclinical
Structure Type MOL
InChI Key HXYWEIIHZJMRLX-VMPITWQZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

367.2
MW (Da)
4.92
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16Cl2O4
MW 367.23
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 4.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.84 4.84 14500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 14500.0 nM 4.84 Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 11728189

Literature References

PubMed DOI Target Context # Activities
11728189 10.1021/jm0101747 Mus musculus 2
11728189 10.1021/jm0101747 Plasmodium falciparum 1
11728189 10.1021/jm0101747 Unchecked 1

Data from ChEMBL 36 via Core Engine