Compound Detail
CHEMBL3604085
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Basic Information
| ChEMBL ID | CHEMBL3604085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSMPUJNEOWYDMU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
2.99
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.47 | 5.47 | 3350.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.39 | 5.39 | 4040.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.38 | 5.38 | 4170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 2400.0 | nM | 5.62 | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei rhodes... | 26237241 |
| L6 | IC50 | = | 3350.0 | nM | 5.47 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 26237241 |
| Leishmania donovani | IC50 | = | 4040.0 | nM | 5.39 | Antitrypanosomal activity against amastigotes of Leishmania donovani MHOM/ET/67/... | 26237241 |
| Trypanosoma cruzi | IC50 | = | 4170.0 | nM | 5.38 | Antitrypanosomal activity against trypomastigote forms of Trypanosoma cruzi Tula... | 26237241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26237241 | 10.1021/acs.jmedchem.5b00748 | Unchecked | 5 |
| 26237241 | 10.1021/acs.jmedchem.5b00748 | Trypanosoma brucei rhodesiense | 1 |
| 26237241 | 10.1021/acs.jmedchem.5b00748 | Trypanosoma cruzi | 1 |
| 26237241 | 10.1021/acs.jmedchem.5b00748 | Leishmania donovani | 1 |
| 26237241 | 10.1021/acs.jmedchem.5b00748 | L6 | 1 |
Data from ChEMBL 36 via Core Engine