Compound Detail
CHEMBL369196
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CCn1c(=O)/c(=C2\Sc3ccc4ccccc4c3N2C)s/c1=C\c1cccc[n+]1CCO.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL369196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRIGFYBFGHEFLJ-PHEASTCWSA-M |
| Parent Compound | CHEMBL1184781 |
| Active Moiety | CHEMBL1184781 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
2.50
ALogP
6
HBA
1
HBD
49.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.37 | 7.37 | 43.0 | 1 |
| FM3A CHEMBL614297 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 43.0 | nM | 7.37 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 11855978 |
| FM3A | EC50 | = | 5000.0 | nM | 5.3 | Cytotoxicity against mouse mammary tumor FM3A cells representing a model of host | 11855978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11855978 | 10.1021/jm0155704 | FM3A | 2 |
| 11855978 | 10.1021/jm0155704 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine