Compound Detail
CHEMBL4521552
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CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4521552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKOVZFRUYDKKQS-KBVAKVRCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.0
MW (Da)
6.02
ALogP
5
HBA
3
HBD
95.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.71 | 7.495 | 19.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 19.69 | nM | 7.71 | Antiparasitic activity against Plasmodium falciparum 3D7 | 31525705 |
| Plasmodium falciparum | IC50 | = | 51.96 | nM | 7.28 | Antiparasitic activity against Plasmodium falciparum K1 | 31525705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31525705 | 10.1016/j.ejmech.2019.05.043 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine