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

CHEMBL388322

3-HYDROXY CHALCONE
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(/C=C/c1cccc(O)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388322
Name 3-HYDROXY CHALCONE
Phase Preclinical
Structure Type MOL
InChI Key FGLRWHNZUBAWJK-MDZDMXLPSA-N
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
3.29
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12O2
MW 224.26
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.26

Activity Summary

EC50 4 meas. best 4.17
IC50 4 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.8 4.8 15710.0 1
Unchecked
CHEMBL612545
 IC50 4.65 4.61 22300.0 2
Trypanosoma cruzi
CHEMBL368
 EC50 4.17 4.17 68300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 15710.0 nM 4.8 Antiplasmodial activity chloroquinone-sensitive Plasmodium falciparum D10 by par... 26235033
Unchecked IC50 = 22300.0 nM 4.65 Inhibition of PMA-induce ROS/RNS generation in human neutrophils measured up to ... 33006891
Unchecked IC50 = 27000.0 nM 4.57 Inhibition of PMA-induce ROS/RNS generation in human neutrophils measured up to ... 33006891
Trypanosoma cruzi EC50 = 68300.0 nM 4.17 Anti-trypanosomal activity against Trypanosoma cruzi Y epimastigotes assessed as... 26055530

Literature References

PubMed DOI Target Context # Activities
18280009 10.1016/j.ejmech.2007.12.027 Ogataea angusta 17
18280009 10.1016/j.ejmech.2007.12.027 Saccharomyces cerevisiae 13
26055530 10.1016/j.bmcl.2015.05.072 Unchecked 5
17007965 10.1016/j.ejmech.2006.08.012 Candida albicans 3
18280009 10.1016/j.ejmech.2007.12.027 Kluyveromyces lactis 3
33006891 10.1021/acs.jnatprod.0c00728 Unchecked 2
28655421 10.1016/j.bmcl.2017.01.053 No relevant target 2
26055530 10.1016/j.bmcl.2015.05.072 Leishmania infantum 2
26055530 10.1016/j.bmcl.2015.05.072 Leishmania amazonensis 2
19640715 10.1016/j.bmcl.2009.07.082 Unchecked 2
18584918 10.1016/j.ejmech.2008.05.010 Staphylococcus aureus 2
26235033 10.1021/acs.jnatprod.5b00114 Plasmodium falciparum 1
- 10.1007/s00044-010-9339-9 Rattus norvegicus 1
26055530 10.1016/j.bmcl.2015.05.072 Trypanosoma cruzi 1
26055530 10.1016/j.bmcl.2015.05.072 ADMET 1
28655421 10.1016/j.bmcl.2017.01.053 Xanthine dehydrogenase/oxidase 1
18584918 10.1016/j.ejmech.2008.05.010 Escherichia coli 1
33006891 10.1021/acs.jnatprod.0c00728 Neutrophil 1

Data from ChEMBL 36 via Core Engine