Compound Detail
CHEMBL2042782
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Basic Information
| ChEMBL ID | CHEMBL2042782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IONACDHPBJLXIL-BDNABIFJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
2.58
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 61000.0 | nM | 4.21 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C2C4 intracellular ... | 22727447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22727447 | 10.1016/j.ejmech.2012.05.041 | Trypanosoma cruzi | 2 |
| 22727447 | 10.1016/j.ejmech.2012.05.041 | J774 | 1 |
Data from ChEMBL 36 via Core Engine