Compound Detail
CHEMBL5542625
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CC(C)[C@H](Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(F)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL5542625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWAMFKDJYKBLOQ-FQEVSTJZSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.4
MW (Da)
4.23
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.3 | 6.77 | 5.0 | 4 |
| HepG2 CHEMBL395 | EC50 | 4.52 | 4.52 | 30300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 5.0 | nM | 8.3 | Antimalarial activity against MMV006833 resistant Plasmodium falciparum 3D7 asse... | 38554474 |
| Plasmodium falciparum | EC50 | = | 33.0 | nM | 7.48 | Antimalarial activity against asexual blood stage Plasmodium falciparum 3D7 asse... | 38554474 |
| Plasmodium falciparum | EC50 | = | 2100.0 | nM | 5.68 | Antimalarial activity against MMV006833 resistant Plasmodium falciparum 3D7 harb... | 38554474 |
| Plasmodium falciparum | EC50 | = | 2400.0 | nM | 5.62 | Antimalarial activity against MMV006833 resistant Plasmodium falciparum 3D7 harb... | 38554474 |
| HepG2 | EC50 | = | 30300.0 | nM | 4.52 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability i... | 38554474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38554474 | 10.1016/j.ejmech.2024.116354 | Plasmodium falciparum | 4 |
| 38554474 | 10.1016/j.ejmech.2024.116354 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine