Compound Detail
CHEMBL2017483
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Basic Information
| ChEMBL ID | CHEMBL2017483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVWLXEMGTPBQRK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
6.55
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.73 | 7.73 | 18.7 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 18.7 | nM | 7.73 | Antiplasmodial activity against Plasmodium falciparum W2 infected in human eryth... | 22414614 |
| Trypanosoma cruzi | IC50 | = | 2700.0 | nM | 5.57 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 infected in afric... | 22414614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22414614 | 10.1016/j.bmcl.2012.02.045 | Vero | 3 |
| 22414614 | 10.1016/j.bmcl.2012.02.045 | ADMET | 2 |
| 22414614 | 10.1016/j.bmcl.2012.02.045 | Plasmodium falciparum | 1 |
| 22414614 | 10.1016/j.bmcl.2012.02.045 | Trypanosoma cruzi | 1 |
| 22414614 | 10.1016/j.bmcl.2012.02.045 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine