Compound Detail
CHEMBL315158
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Basic Information
| ChEMBL ID | CHEMBL315158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCSHODKHROYBBX-OQSMONGASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
5.27
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.41 | 7.245 | 39.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.5 | nM | 8.35 | Evaluated for the neurotoxicity against NB2a Neuroblastoma cells. | 10893313 |
| Plasmodium falciparum | IC50 | = | 39.0 | nM | 7.41 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 10893313 |
| Plasmodium falciparum | IC50 | = | 84.0 | nM | 7.08 | 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