Compound Detail
CHEMBL2386133
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Basic Information
| ChEMBL ID | CHEMBL2386133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUEKDASCTSZWES-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
285.7
MW (Da)
1.62
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.1 | 4.1 | 79800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 79800.0 | nM | 4.1 | Antiplasmodial activity against erythrocytic stage of Plasmodium falciparum K1 a... | 24900706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900706 | 10.1021/ml400039r | Sterol 14-alpha demethylase | 1 |
| 24900706 | 10.1021/ml400039r | Unchecked | 1 |
| 24900706 | 10.1021/ml400039r | L6 | 1 |
| 24900706 | 10.1021/ml400039r | Plasmodium falciparum | 1 |
| 24900706 | 10.1021/ml400039r | Leishmania donovani | 1 |
| 24900706 | 10.1021/ml400039r | Trypanosoma cruzi | 1 |
| 24900706 | 10.1021/ml400039r | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine