Compound Detail
CHEMBL118741
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Basic Information
| ChEMBL ID | CHEMBL118741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXXOODVACANNJZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
322.2
MW (Da)
3.75
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.15 | 7.9133 | 7.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7.0 | nM | 8.15 | In vitro antiplasmodial activity against chloroquine-sensitive Plasmodium falcip... | 9836608 |
| Plasmodium falciparum | IC50 | = | 7.0 | nM | 8.15 | In vitro antiplasmodial activity against chloroquine-resistant Plasmodium falcip... | 9836608 |
| Unchecked | IC50 | = | 28.0 | nM | 7.55 | Normalised IC50 was measured | 12139464 |
| Plasmodium falciparum | IC50 | = | 36.0 | nM | 7.44 | 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 | Ferriprotoporphyrin IX | 1 |
| 23669191 | 10.1016/j.bmc.2013.04.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine