Compound Detail
CHEMBL226715
4',4-DICHLOROCHALCONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL226715 |
| Name | 4',4-DICHLOROCHALCONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMEMCRBNZSLQCQ-XCVCLJGOSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
277.1
MW (Da)
4.89
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.58 | 5.0167 | 2600.0 | 3 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.23 | 5.23 | 5860.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.08 | 4.08 | 82800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2600.0 | nM | 5.58 | Antiplasmodial activity against mefloquine-resistant Plasmodium falciparum D6 as... | 26750257 |
| Plasmodium falciparum | IC50 | = | 5300.0 | nM | 5.28 | Antiplasmodial activity against chloroquine, quinine and pyrimethamine-resistant... | 26750257 |
| Entamoeba histolytica | IC50 | = | 5860.0 | nM | 5.23 | Antiamnesic activity against Entamoeba histolytica HM1:IMSS after 72 hrs by micr... | 22658085 |
| Plasmodium falciparum | IC50 | = | 65000.0 | nM | 4.19 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 20863599 |
| HepG2 | IC50 | = | 82800.0 | nM | 4.08 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 22658085 |
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 |
| 22658085 | 10.1016/j.ejmech.2012.03.049 | HepG2 | 5 |
| 17007965 | 10.1016/j.ejmech.2006.08.012 | Candida albicans | 3 |
| 18280009 | 10.1016/j.ejmech.2007.12.027 | Kluyveromyces lactis | 3 |
| - | 10.1007/s00044-011-9602-8 | Plutella xylostella | 3 |
| 26750257 | 10.1016/j.bmcl.2015.12.032 | Plasmodium falciparum | 3 |
| 18584918 | 10.1016/j.ejmech.2008.05.010 | Staphylococcus aureus | 2 |
| 20863599 | 10.1016/j.ejmech.2010.08.049 | Plasmodium falciparum | 2 |
| 18584918 | 10.1016/j.ejmech.2008.05.010 | Escherichia coli | 1 |
| 22658085 | 10.1016/j.ejmech.2012.03.049 | Unchecked | 1 |
| 22658085 | 10.1016/j.ejmech.2012.03.049 | Entamoeba histolytica | 1 |
| 26750257 | 10.1016/j.bmcl.2015.12.032 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine