Compound Detail
CHEMBL3358477
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Basic Information
| ChEMBL ID | CHEMBL3358477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDPCJUZPRVJTKM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.2
MW (Da)
2.53
ALogP
7
HBA
1
HBD
107.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.32 | 5.32 | 4750.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.13 | 5.13 | 7350.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.49 | 4.49 | 32700.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 4750.0 | nM | 5.32 | Antiparasitic activity against trypomastigote forms of Trypanosoma cruzi Tulahue... | 25240098 |
| Leishmania donovani | IC50 | = | 7350.0 | nM | 5.13 | Antiparasitic activity against axenic amastigote forms of Leishmania donovani MH... | 25240098 |
| Trypanosoma brucei rhodesiense | IC50 | = | 32700.0 | nM | 4.49 | Antiparasitic activity against bloodstream forms of Trypanosoma brucei rhodesien... | 25240098 |
| L6 | IC50 | = | 75000.0 | nM | 4.12 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 25240098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25240098 | 10.1016/j.ejmech.2014.09.045 | Unchecked | 3 |
| 25240098 | 10.1016/j.ejmech.2014.09.045 | Trypanosoma cruzi | 2 |
| 25240098 | 10.1016/j.ejmech.2014.09.045 | L6 | 1 |
| 25240098 | 10.1016/j.ejmech.2014.09.045 | Trypanosoma brucei rhodesiense | 1 |
| 25240098 | 10.1016/j.ejmech.2014.09.045 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine