Compound Detail
CHEMBL91857
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Basic Information
| ChEMBL ID | CHEMBL91857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGZQUHPWGBWVRG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
5.47
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.03 | 6.94 | 94.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Evaluated for the neurotoxicity against NB2a Neuroblastoma cells. | 10893313 |
| Plasmodium falciparum | IC50 | = | 94.0 | nM | 7.03 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 10893313 |
| Plasmodium falciparum | IC50 | = | 140.0 | nM | 6.85 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 | 10893313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10893313 | 10.1021/jm0000766 | Plasmodium falciparum | 2 |
| 10893313 | 10.1021/jm0000766 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine