Compound Detail
CHEMBL4534157
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O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3ccc(Cl)cc3)cc(Cl)cn12
Basic Information
| ChEMBL ID | CHEMBL4534157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMELBBZUKRQOIY-UHFFFAOYSA-N |
8
Targets
14
Activities
2
Assay Types
1
PK Parameters
17
Publications
0
Known Names
Molecular Properties
494.4
MW (Da)
5.67
ALogP
7
HBA
0
HBD
94.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 7.48
EC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.48 | 7.0 | 33.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 6.58 | 6.1933 | 260.0 | 3 |
| Leishmania donovani CHEMBL367 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 5.89 | 5.785 | 1300.0 | 2 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.05 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine