Compound Detail
CHEMBL2181208
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 | CHEMBL2181208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMPKZXGSICWCIP-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
400.9
MW (Da)
6.02
ALogP
4
HBA
2
HBD
40.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.28 | 7.0 | 53.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 53.0 | nM | 7.28 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 23145816 |
| Plasmodium falciparum | IC50 | = | 67.0 | nM | 7.17 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... | 23145816 |
| Plasmodium falciparum | IC50 | = | 130.0 | nM | 6.89 | Antiplasmodial activity against CQ-resistant Plasmodium falciparum W2 assessed a... | 25593097 |
| Plasmodium falciparum | IC50 | = | 220.0 | nM | 6.66 | Antiplasmodial activity against CQ-resistant Plasmodium falciparum K1 | 25593097 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23145816 | 10.1021/jm300831b | No relevant target | 5 |
| 23145816 | 10.1021/jm300831b | Salmonella typhimurium | 4 |
| 23145816 | 10.1021/jm300831b | Chloroquine resistance transporter | 4 |
| 23145816 | 10.1021/jm300831b | Plasmodium falciparum | 2 |
| 25593097 | 10.1016/j.bmc.2014.12.018 | Plasmodium falciparum | 2 |
| 23145816 | 10.1021/jm300831b | Unchecked | 1 |
| 23145816 | 10.1021/jm300831b | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23145816 | 10.1021/jm300831b | Plasmodium berghei | 1 |
| 23145816 | 10.1021/jm300831b | HepG2 | 1 |
| 23145816 | 10.1021/jm300831b | NIH3T3 | 1 |
| 23145816 | 10.1021/jm300831b | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine