Compound Detail
CHEMBL3410631
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Basic Information
| ChEMBL ID | CHEMBL3410631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZABGYOOVXFCCG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
1.28
ALogP
8
HBA
1
HBD
111.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.74 | 5.74 | 1838.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.48 | 5.48 | 3290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 1838.0 | nM | 5.74 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei rho... | 25580906 |
| Trypanosoma cruzi | IC50 | = | 3290.0 | nM | 5.48 | Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Tulahuen... | 25580906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25580906 | 10.1021/jm5015742 | Unchecked | 7 |
| 25580906 | 10.1021/jm5015742 | Trypanosoma brucei rhodesiense | 1 |
| 25580906 | 10.1021/jm5015742 | Trypanosoma cruzi | 1 |
| 25580906 | 10.1021/jm5015742 | L6 | 1 |
Data from ChEMBL 36 via Core Engine