Compound Detail
CHEMBL4783344
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Cc1cc(Sc2ccc(Cl)cc2)c2nc(CS(=O)(=O)c3ccccc3)c([N+](=O)[O-])n2c1
Basic Information
| ChEMBL ID | CHEMBL4783344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMKGHWGLQFRWFN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
474.0
MW (Da)
5.33
ALogP
7
HBA
0
HBD
94.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Leishmania infantum CHEMBL612848 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 1800.0 | nM | 5.75 | Antitrypanosomal activity against bloodstream form Trypanosoma brucei brucei AnT... | 32795774 |
| Leishmania donovani | EC50 | = | 2600.0 | nM | 5.58 | Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigot... | 32795774 |
| Leishmania infantum | EC50 | = | 5000.0 | nM | 5.3 | Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 axenic... | 32795774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32795774 | 10.1016/j.ejmech.2020.112668 | Unchecked | 3 |
| 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