Compound Detail
CHEMBL3410620
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Basic Information
| ChEMBL ID | CHEMBL3410620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNEYOZORSQCSSN-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
348.3
MW (Da)
2.36
ALogP
7
HBA
1
HBD
126.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.86 | 6.86 | 138.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.47 | 6.47 | 336.0 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.44 | 6.26 | 360.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 138.0 | nM | 6.86 | Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Tulahuen... | 25580906 |
| Trypanosoma cruzi | IC50 | = | 138.0 | nM | 6.86 | Trypanocidal activity against Trypanosoma cruzi Tulahuen C4 amastigotes intra-pe... | 27543881 |
| Trypanosoma brucei rhodesiense | IC50 | = | 336.0 | nM | 6.47 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei rho... | 25580906 |
| Trypanosoma brucei rhodesiense | IC50 | = | 336.0 | nM | 6.47 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 trypomasti... | 27543881 |
| Trypanosoma brucei brucei | IC50 | = | 360.0 | nM | 6.44 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 25580906 |
| Trypanosoma brucei brucei | IC50 | = | 840.0 | nM | 6.08 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei | 25580906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25580906 | 10.1021/jm5015742 | Unchecked | 7 |
| 28993106 | 10.1016/j.bmc.2017.09.037 | Mycobacterium tuberculosis | 7 |
| 25580906 | 10.1021/jm5015742 | ADMET | 5 |
| 25580906 | 10.1021/jm5015742 | Trypanosoma cruzi | 3 |
| 25580906 | 10.1021/jm5015742 | Trypanosoma brucei brucei | 3 |
| 25580906 | 10.1021/jm5015742 | Sterol 14-alpha demethylase | 3 |
| 27543881 | 10.1016/j.ejmech.2016.08.002 | Unchecked | 2 |
| 27543881 | 10.1016/j.ejmech.2016.08.002 | Trypanosoma cruzi | 2 |
| 25580906 | 10.1021/jm5015742 | Trypanosoma brucei rhodesiense | 1 |
| 25580906 | 10.1021/jm5015742 | L6 | 1 |
| 25580906 | 10.1021/jm5015742 | Mus musculus | 1 |
| 28993106 | 10.1016/j.bmc.2017.09.037 | No relevant target | 1 |
| 27543881 | 10.1016/j.ejmech.2016.08.002 | L6 | 1 |
| 27543881 | 10.1016/j.ejmech.2016.08.002 | Leishmania donovani | 1 |
| 27543881 | 10.1016/j.ejmech.2016.08.002 | Trypanosoma brucei rhodesiense | 1 |
| 27543881 | 10.1016/j.ejmech.2016.08.002 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine