Compound Detail
CHEMBL22590
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
Basic Information
| ChEMBL ID | CHEMBL22590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOAUQQDOLGYUFX-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
3.22
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.66 | 7.5433 | 21.9 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 21.87 | nM | 7.66 | Antiplasmodial activity against erythrocytic stage of chloroquine-sensitive Plas... | 36306538 |
| Plasmodium falciparum | IC50 | = | 25.0 | nM | 7.6 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 26791529 |
| Plasmodium falciparum | IC50 | = | 26.0 | nM | 7.58 | In vitro antimalarial activity against Plasmodium falciparum W2 (Indochina) | 10737758 |
| Plasmodium falciparum | IC50 | = | 26.0 | nM | 7.58 | Antimalarial activity against Plasmodium falciparum W2 | 33508479 |
| Plasmodium falciparum | IC50 | = | 38.0 | nM | 7.42 | In vitro antimalarial activity against Plasmodium falciparum D6 (Sierra Leone) | 10737758 |
| Plasmodium falciparum | IC50 | = | 38.0 | nM | 7.42 | Antimalarial activity against Plasmodium falciparum D6 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17485500 | 10.1128/aac.00264-07 | Plasmodium falciparum | 4 |
| 10737758 | 10.1021/jm990530+ | Plasmodium falciparum | 2 |
| 17485500 | 10.1128/aac.00264-07 | Plasmodium berghei | 2 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 2 |
| 26791529 | 10.1021/acs.jmedchem.5b01485 | Plasmodium falciparum | 1 |
| 36306538 | 10.1016/j.ejmech.2022.114774 | Plasmodium falciparum | 1 |
| 36306538 | 10.1016/j.ejmech.2022.114774 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine