Compound Detail
CHEMBL3410627
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Basic Information
| ChEMBL ID | CHEMBL3410627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRVUFVYAMYDWMI-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
268.2
MW (Da)
1.35
ALogP
6
HBA
0
HBD
90.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
EC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.92 | 5.92 | 1194.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.26 | 5.26 | 5530.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.47 | 4.47 | 34067.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1194.0 | nM | 5.92 | Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Tulahuen... | 25580906 |
| NON-PROTEIN TARGET | EC50 | = | 5530.0 | nM | 5.26 | Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Y infect... | 27318979 |
| Trypanosoma brucei rhodesiense | IC50 | = | 34067.0 | nM | 4.47 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei rho... | 25580906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27318979 | 10.1016/j.ejmech.2016.04.065 | NON-PROTEIN TARGET | 4 |
| 25580906 | 10.1021/jm5015742 | Trypanosoma brucei rhodesiense | 1 |
| 25580906 | 10.1021/jm5015742 | Trypanosoma cruzi | 1 |
| 25580906 | 10.1021/jm5015742 | Unchecked | 1 |
| 25580906 | 10.1021/jm5015742 | L6 | 1 |
| 27318979 | 10.1016/j.ejmech.2016.04.065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine