Compound Detail
CHEMBL456434
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Basic Information
| ChEMBL ID | CHEMBL456434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRUCRQBQPHHKPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.45
ALogP
4
HBA
5
HBD
105.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.2 | 6.2 | 636.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.29 | 5.29 | 5101.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 636.0 | nM | 6.2 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 18841956 |
| Trypanosoma brucei rhodesiense | IC50 | = | 5101.0 | nM | 5.29 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 bloods... | 18841956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18841956 | 10.1021/jm800918v | Unchecked | 3 |
| 18841956 | 10.1021/jm800918v | L6 | 1 |
| 18841956 | 10.1021/jm800918v | Trypanosoma brucei rhodesiense | 1 |
| 18841956 | 10.1021/jm800918v | Plasmodium falciparum | 1 |
| 18841956 | 10.1021/jm800918v | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine