Compound Detail
CHEMBL487389
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Basic Information
| ChEMBL ID | CHEMBL487389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHJQMWOBQVMZLS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
2.32
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 4.97 | 9900.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9900.0 | nM | 5.0 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 af... | 19591451 |
| Plasmodium falciparum | IC50 | = | 11400.0 | nM | 4.94 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum Dd2 af... | 19591451 |
| NON-PROTEIN TARGET | IC50 | = | 21700.0 | nM | 4.66 | Cytotoxicity against human HA59T cells by MTS colorimetric assay | 11087586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19591451 | 10.1021/np900247f | Plasmodium falciparum | 2 |
| 11087586 | 10.1021/np000176e | AGS | 1 |
| 11087586 | 10.1021/np000176e | DLD-1 | 1 |
| 11087586 | 10.1021/np000176e | NON-PROTEIN TARGET | 1 |
| 11087586 | 10.1021/np000176e | HepG2 | 1 |
| 19591451 | 10.1021/np900247f | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine