Compound Detail
CHEMBL58972
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Basic Information
| ChEMBL ID | CHEMBL58972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEIMTOOWBACOHT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
0.70
ALogP
8
HBA
6
HBD
155.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.46 | 7.46 | 35.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 35.0 | nM | 7.46 | In vitro inhibitory activity against Plasmodium falciparum D6 | - |
| Plasmodium falciparum | IC50 | = | 35.0 | nM | 7.46 | Antimalarial activity against wildtype Plasmodium falciparum D6 by 96-well micro... | 33333397 |
| Plasmodium falciparum | IC50 | = | 35.0 | nM | 7.46 | Antimalarial activity against drug resistant Plasmodium falciparum D6 by 96-well... | 33333397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00326-O | CFU-GM | 6 |
| 33333397 | 10.1016/j.ejmech.2020.113084 | Plasmodium falciparum | 2 |
| - | 10.1016/0960-894X(95)00326-O | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine