Compound Detail
CHEMBL3633325
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Basic Information
| ChEMBL ID | CHEMBL3633325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPXAMXCOIFEUBL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
502.3
MW (Da)
4.77
ALogP
4
HBA
0
HBD
30.0
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.74 | 5.74 | 1811.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.2 | 5.2 | 6265.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.7 | 4.7 | 20190.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.58 | 4.58 | 25996.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1811.0 | nM | 5.74 | Antichagasic activity against amastigote forms of Trypanosoma cruzi Tulahuen C4 ... | 26363868 |
| Leishmania donovani | IC50 | = | 6265.0 | nM | 5.2 | Antileishmanial activity against axenic amastigote forms of Leishmania donovani ... | 26363868 |
| L6 | IC50 | = | 20190.0 | nM | 4.7 | Cytotoxicity against rat L6 cells assessed as cell viability | 26363868 |
| Trypanosoma brucei rhodesiense | IC50 | = | 25996.0 | nM | 4.58 | Antitrypanosomal activity against bloodstream trypomastigote forms of Trypanosom... | 26363868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26363868 | 10.1016/j.ejmech.2015.08.042 | Unchecked | 3 |
| 26363868 | 10.1016/j.ejmech.2015.08.042 | Trypanosoma brucei rhodesiense | 1 |
| 26363868 | 10.1016/j.ejmech.2015.08.042 | Trypanosoma cruzi | 1 |
| 26363868 | 10.1016/j.ejmech.2015.08.042 | Leishmania donovani | 1 |
| 26363868 | 10.1016/j.ejmech.2015.08.042 | L6 | 1 |
Data from ChEMBL 36 via Core Engine