Compound Detail
CHEMBL4784988
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Basic Information
| ChEMBL ID | CHEMBL4784988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXRLWGWRBLAKJC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
410.2
MW (Da)
3.29
ALogP
6
HBA
0
HBD
94.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 1200.0 | nM | 5.92 | Antitrypanosomal activity against bloodstream form Trypanosoma brucei brucei AnT... | 32795774 |
| Leishmania donovani | EC50 | = | 5600.0 | nM | 5.25 | Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigot... | 32795774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32795774 | 10.1016/j.ejmech.2020.112668 | Unchecked | 2 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | HepG2 | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Leishmania donovani | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Leishmania infantum | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Trypanosoma brucei brucei | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine