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Compound Detail

CHEMBL565053

ECHINOISOFLAVANONE
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COc1ccc(C2(O)COc3cc(O)cc(O)c3C2=O)c(OC)c1C(C)=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL565053
Name ECHINOISOFLAVANONE
Phase Preclinical
Structure Type MOL
InChI Key VNIXCOZHVDVADB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.39
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H24O7
MW 400.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.90

Activity Summary

IC50 2 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.38 4.38 42100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 42100.0 nM 4.38 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 19572738

Literature References

PubMed DOI Target Context # Activities
19572738 10.1021/np900144c Plasmodium falciparum 1
19572738 10.1021/np900144c CHO 1
19572738 10.1021/np900144c Unchecked 1

Data from ChEMBL 36 via Core Engine