Compound Detail
CHEMBL454078
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Basic Information
| ChEMBL ID | CHEMBL454078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXHPNHOUPZWMCP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.9
MW (Da)
5.18
ALogP
4
HBA
2
HBD
48.4
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.6 | 7.4733 | 25.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 25.3 | nM | 7.6 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Thai a... | 17485145 |
| Plasmodium falciparum | IC50 | = | 35.2 | nM | 7.45 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1R ... | 17485145 |
| Plasmodium falciparum | IC50 | = | 42.8 | nM | 7.37 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 17485145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17485145 | 10.1016/j.ejmech.2007.03.008 | Plasmodium falciparum | 3 |
| 17485145 | 10.1016/j.ejmech.2007.03.008 | Unchecked | 1 |
| 17485145 | 10.1016/j.ejmech.2007.03.008 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine