Compound Detail
CHEMBL94429
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Basic Information
| ChEMBL ID | CHEMBL94429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQBPUCBZHPJVBQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
588.0
MW (Da)
6.66
ALogP
6
HBA
2
HBD
83.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.82 | 6.82 | 151.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 151.1 | nM | 6.82 | Inhibitory activity against chloroquine-resistant Plasmodium falciparum FcB1R | 11495593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11495593 | 10.1021/jm010842o | MRC5 | 3 |
| 11495593 | 10.1021/jm010842o | ADMET | 3 |
| 11495593 | 10.1021/jm010842o | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine