Compound Detail
CHEMBL108041
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Basic Information
| ChEMBL ID | CHEMBL108041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLXYPOYITZTAHY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
4.52
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.64 | 4.4067 | 23000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 23000.0 | nM | 4.64 | Concentration required to reduce chloroquine IC50 by 50% | 12109904 |
| Plasmodium falciparum | IC50 | = | 50000.0 | nM | 4.3 | In vitro inhibitory activity against multidrug-resistant Plasmodium falciparum W... | 12109904 |
| Plasmodium falciparum | IC50 | = | 52000.0 | nM | 4.28 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109904 | 10.1021/jm011046l | Plasmodium falciparum | 4 |
| 12109904 | 10.1021/jm011046l | No relevant target | 3 |
| 12109904 | 10.1021/jm011046l | ADMET | 1 |
| 12109904 | 10.1021/jm011046l | Unchecked | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine