Compound Detail
CHEMBL4793336
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C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(=O)c4ccccc4)cc3)CC2C(=O)NO)cc1
Basic Information
| ChEMBL ID | CHEMBL4793336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZADWTSULFPLXFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
1.92
ALogP
6
HBA
2
HBD
124.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 6000.0 | nM | 5.22 | Parasiticidal activity against Plasmodium falciparum 3D7 | 33227414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33227414 | 10.1016/j.bmcl.2020.127683 | Falcilysin | 1 |
| 33227414 | 10.1016/j.bmcl.2020.127683 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine