Compound Detail
CHEMBL4648910
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Basic Information
| ChEMBL ID | CHEMBL4648910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXTQWSZHVPVLAL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.68
ALogP
3
HBA
1
HBD
62.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 21000.0 | nM | 4.68 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 31961680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31961680 | 10.1021/acs.jnatprod.9b00933 | HEK293 | 2 |
| 31961680 | 10.1021/acs.jnatprod.9b00933 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine