Compound Detail
CHEMBL174652
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CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1cccc[n+]1C.Cc1ccc(S(=O)(=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL174652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXUCXXZZKSMBOJ-KPJFUTMLSA-M |
| Parent Compound | CHEMBL1181502 |
| Active Moiety | CHEMBL1181502 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
1.89
ALogP
5
HBA
0
HBD
29.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
| FM3A CHEMBL614297 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 23.0 | nM | 7.64 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 11855978 |
| FM3A | EC50 | = | 11000.0 | nM | 4.96 | 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