Compound Detail
CHEMBL3218761
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Cc1ccc(NC(=O)CSc2nc3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3s2)cc1
Basic Information
| ChEMBL ID | CHEMBL3218761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIBVCXFEFWPQHG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.6
MW (Da)
6.03
ALogP
7
HBA
2
HBD
97.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.77 | 4.77 | 16870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16870.0 | nM | 4.77 | Inhibition of Plasmodium falciparum recombinant falcipain 2 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00129A | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine