Compound Detail
CHEMBL119049
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Basic Information
| ChEMBL ID | CHEMBL119049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLZUWXVIBLTTAS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
3.00
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.32 | 6.8267 | 48.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.4 | 399.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 48.0 | nM | 7.32 | In vitro antiplasmodial activity against chloroquine-sensitive Plasmodium falcip... | 9836608 |
| Plasmodium falciparum | IC50 | = | 155.0 | nM | 6.81 | In vitro antiplasmodial activity against chloroquine-resistant Plasmodium falcip... | 9836608 |
| Unchecked | IC50 | = | 399.0 | nM | 6.4 | Normalised IC50 was measured | 12139464 |
| Plasmodium falciparum | IC50 | = | 448.0 | nM | 6.35 | In vitro antiplasmodial activity against chloroquine-sensitive Plasmodium falcip... | 12139464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12139464 | 10.1021/jm020858u | ADMET | 3 |
| 12139464 | 10.1021/jm020858u | Histidine-rich protein PFHRP-II | 2 |
| 9836608 | 10.1021/jm980146x | Plasmodium falciparum | 2 |
| 12139464 | 10.1021/jm020858u | Plasmodium falciparum | 1 |
| 12139464 | 10.1021/jm020858u | Unchecked | 1 |
| 23669191 | 10.1016/j.bmc.2013.04.040 | Unchecked | 1 |
| 23669191 | 10.1016/j.bmc.2013.04.040 | Ferriprotoporphyrin IX | 1 |
Data from ChEMBL 36 via Core Engine