Compound Detail
CHEMBL3410630
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Basic Information
| ChEMBL ID | CHEMBL3410630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKLFWWCIJKDTCF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
3.34
ALogP
5
HBA
0
HBD
78.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L6 CHEMBL614793 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.85 | 4.85 | 14229.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.12 | 4.12 | 76550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L6 | IC50 | = | 9700.0 | nM | 5.01 | Cytotoxicity against rat L6 cells assessed as growth inhibition after 72 hrs by ... | 25580906 |
| Trypanosoma cruzi | IC50 | = | 14229.0 | nM | 4.85 | Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Tulahuen... | 25580906 |
| Trypanosoma brucei rhodesiense | IC50 | = | 76550.0 | nM | 4.12 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei rho... | 25580906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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