Compound Detail
CHEMBL4744808
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CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4744808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOYINAMDTZPCNI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
479.0
MW (Da)
4.62
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.23
IC50 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.23 | 5.23 | 5880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.8 | nM | 8.06 | Inhibition of recombinant His-tagged Plasmodium falciparum 3D7 PI4K expressed in... | 31911293 |
| Plasmodium falciparum | EC50 | = | 5880.0 | nM | 5.23 | Antimalarial activity against sulphadoxine-resistant blood stage Plasmodium falc... | 31911293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31911293 | 10.1016/j.ejmech.2019.112012 | Plasmodium falciparum | 1 |
| 31911293 | 10.1016/j.ejmech.2019.112012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine