Compound Detail
CHEMBL2017485
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Basic Information
| ChEMBL ID | CHEMBL2017485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMWTVBSPYSWKQI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
5.52
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.56
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 9300.0 | nM | 5.03 | 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 | Plasmodium falciparum | 1 |
| 22414614 | 10.1016/j.bmcl.2012.02.045 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine