Compound Detail
CHEMBL443303
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CCn1c(=O)/c(=C2\C=CC=CN2C)s/c1=C\c1cccc[n+]1C.Cc1ccc(S(=O)(=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL443303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSWKKZRFLQWCOQ-NYDCQJDFSA-M |
| Parent Compound | CHEMBL1185959 |
| Active Moiety | CHEMBL1185959 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
0.71
ALogP
4
HBA
0
HBD
29.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 350.0 | nM | 6.46 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 11855978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11855978 | 10.1021/jm0155704 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine