Compound Detail
CHEMBL4871069
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CCc1cccc(CNC(=O)c2nc3ccc(F)c(COc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL4871069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSVSGGUEHBUCED-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
3.83
ALogP
5
HBA
3
HBD
121.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.16 | 5.16 | 6970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6970.0 | nM | 5.16 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in human eryt... | 34437804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34437804 | 10.1021/acs.jmedchem.1c00441 | HEK293 | 1 |
| 34437804 | 10.1021/acs.jmedchem.1c00441 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine