Compound Detail
CHEMBL4557449
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Basic Information
| ChEMBL ID | CHEMBL4557449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZMXANNHHWLLCK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
381.3
MW (Da)
3.24
ALogP
4
HBA
3
HBD
71.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.8 | 5.55 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1600.0 | nM | 5.8 | Antimalarial activity against chloroquine/mefloquine-sensitive Plasmodium falcip... | 27544402 |
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | Antimalarial activity against trophozoite stage of Plasmodium falciparum 3D7 inf... | 27544402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27544402 | 10.1016/j.bmcl.2016.08.005 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine