Compound Detail
CHEMBL449051
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Basic Information
| ChEMBL ID | CHEMBL449051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKXQFWAPPKTIRA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
388.6
MW (Da)
5.75
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum Ghan... | 19364118 |
| ADMET | IC50 | = | 7200.0 | nM | 5.14 | Cytotoxicity against human MRC5 SV2 cells after 72 hrs by resazurin-based fluoro... | 19364118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19364118 | 10.1021/jm801490z | Nucleic Acid | 1 |
| 19364118 | 10.1021/jm801490z | Histidine-rich protein PFHRP-II | 1 |
| 19364118 | 10.1021/jm801490z | Plasmodium falciparum | 1 |
| 19364118 | 10.1021/jm801490z | ADMET | 1 |
| 19364118 | 10.1021/jm801490z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine