Compound Detail
CHEMBL442487
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Basic Information
| ChEMBL ID | CHEMBL442487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTQQCSMCQUWGNJ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
1.31
ALogP
5
HBA
0
HBD
65.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.52
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 7.52 | 6.18 | 30.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.31 | 5.31 | 4940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 30.0 | nM | 7.52 | Vasodilatory activity in pre-contracted Wistar rat aortic rings | 21396743 |
| Plasmodium falciparum | IC50 | = | 4940.0 | nM | 5.31 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 21396743 |
| Rattus norvegicus | EC50 | = | 14300.0 | nM | 4.84 | Relaxation of endothelium denucleated strips of rat aorta precontracted with nor... | 9046336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046336 | 10.1021/jm960379t | Rattus norvegicus | 2 |
| 9046336 | 10.1021/jm960379t | Molecular identity unknown | 2 |
| 21396743 | 10.1016/j.ejmech.2011.02.029 | Plasmodium falciparum | 2 |
| 18706821 | 10.1016/j.bmc.2008.07.077 | Trypanosoma cruzi | 1 |
| 21396743 | 10.1016/j.ejmech.2011.02.029 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine