Compound Detail
CHEMBL5414795
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CCOC(=O)c1nn(CCNc2ccnc3cc(Cl)ccc23)c2c1C(c1ccc(O)cc1)C(C#N)=C(N)O2
Basic Information
| ChEMBL ID | CHEMBL5414795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBGGUVIHUWTDRI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
531.0
MW (Da)
4.30
ALogP
10
HBA
3
HBD
148.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.58 | 6.365 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 26.0 | nM | 7.58 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as reduction in... | 37163950 |
| Plasmodium falciparum | EC50 | = | 7120.0 | nM | 5.15 | Antimalarial activity against Plasmodium falciparum K1 assessed as reduction in ... | 37163950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37163950 | 10.1016/j.ejmech.2023.115458 | Plasmodium falciparum | 2 |
| 37163950 | 10.1016/j.ejmech.2023.115458 | Vero | 1 |
Data from ChEMBL 36 via Core Engine