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Compound Detail

CHEMBL3104864

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COc1ccc(C(=O)OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3104864
Phase Preclinical
Structure Type MOL
InChI Key HOVDZHKFZHIEPB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.4
MW (Da)
3.25
ALogP
8
HBA
2
HBD
119.4
PSA (Ų)
0.46
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 C24H18O8
MW 434.40
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.57

Activity Summary

IC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.85 4.85 14000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 14000.0 nM 4.85 Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... 24326280

Literature References

PubMed DOI Target Context # Activities
24326280 10.1016/j.bmc.2013.11.032 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine