Compound Detail
CHEMBL4585177
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O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3cccc(C(F)(F)F)c3)cc(Cl)cn12
Basic Information
| ChEMBL ID | CHEMBL4585177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTNKDPJZNYJLOI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
527.9
MW (Da)
6.04
ALogP
7
HBA
0
HBD
94.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 1300.0 | nM | 5.89 | Antileishmanial activity against promastigote stage of Leishmania donovani MHOM/... | 30655943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30655943 | 10.1021/acsmedchemlett.8b00347 | Leishmania donovani | 1 |
| 30655943 | 10.1021/acsmedchemlett.8b00347 | HepG2 | 1 |
| 30655943 | 10.1021/acsmedchemlett.8b00347 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine