Compound Detail
CHEMBL3299078
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Basic Information
| ChEMBL ID | CHEMBL3299078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIZBMHHTGSTLCD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.75
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.83 | 5.83 | 1475.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.54 | 2860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1475.0 | nM | 5.83 | Antiplasmodium activity against blood stage Plasmodium falciparum 3D7 assessed a... | 24786226 |
| Unchecked | IC50 | = | 2860.0 | nM | 5.54 | Inhibition of Plasmodium falciparum Atg8-Atg3 protein interaction by surface pla... | 24786226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24786226 | 10.1021/jm401675a | Unchecked | 1 |
| 24786226 | 10.1021/jm401675a | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine