Compound Detail
CHEMBL1780228
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Basic Information
| ChEMBL ID | CHEMBL1780228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUWJAFMKHBUVBN-HPNDGRJYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.55
ALogP
6
HBA
0
HBD
63.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.01 | 4.01 | 96900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 29.0 | nM | 7.54 | Antimalarial activity against chloroquine and pyrimethamine resistant Plasmodium... | 24900219 |
| L6 | IC50 | = | 96900.0 | nM | 4.01 | Cytotoxicity against rat L6 cells | 24900219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900219 | 10.1021/ml100120a | Plasmodium berghei | 2 |
| 24900219 | 10.1021/ml100120a | Plasmodium falciparum | 1 |
| 24900219 | 10.1021/ml100120a | L6 | 1 |
| 24900219 | 10.1021/ml100120a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine