Compound Detail
CHEMBL3612345
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Basic Information
| ChEMBL ID | CHEMBL3612345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIPDTGYELOXDIS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
0.97
ALogP
7
HBA
1
HBD
106.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 8000.0 | nM | 5.1 | Antiparasitic activity against amastigote stage of Trypanosoma cruzi Tulahuen C4... | 26344593 |
| Trypanosoma brucei rhodesiense | IC50 | = | 12000.0 | nM | 4.92 | Antiparasitic activity against trypomastigote stage of Trypanosoma brucei rhodes... | 26344593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26344593 | 10.1016/j.bmc.2015.08.014 | Unchecked | 3 |
| 26344593 | 10.1016/j.bmc.2015.08.014 | Trypanosoma cruzi | 2 |
| 26344593 | 10.1016/j.bmc.2015.08.014 | Trypanosoma brucei rhodesiense | 1 |
| 26344593 | 10.1016/j.bmc.2015.08.014 | Leishmania donovani | 1 |
| 26344593 | 10.1016/j.bmc.2015.08.014 | L6 | 1 |
Data from ChEMBL 36 via Core Engine