Compound Detail
CHEMBL4872525
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CCc1cncc(CNC(=O)c2nc3cccc(COCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL4872525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWELCAQNECTFPX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
3.23
ALogP
6
HBA
3
HBD
134.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 550.0 | nM | 6.26 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in human eryt... | 34437804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34437804 | 10.1021/acs.jmedchem.1c00441 | ADMET | 2 |
| 34437804 | 10.1021/acs.jmedchem.1c00441 | HEK293 | 1 |
| 34437804 | 10.1021/acs.jmedchem.1c00441 | Plasmodium falciparum | 1 |
| 34437804 | 10.1021/acs.jmedchem.1c00441 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine