Compound Detail
CHEMBL4585909
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O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3cccc(Cl)c3Cl)cc(Cl)cn12
Basic Information
| ChEMBL ID | CHEMBL4585909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBMHTDFEIWSOKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
528.8
MW (Da)
6.33
ALogP
7
HBA
0
HBD
94.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 2000.0 | nM | 5.7 | 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 | Unchecked | 1 |
| 30655943 | 10.1021/acsmedchemlett.8b00347 | No relevant target | 1 |
| 30655943 | 10.1021/acsmedchemlett.8b00347 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine