Compound Detail
CHEMBL174754
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CC[N+]1=C(SC)S/C(=C2/Sc3ccccc3N2C)C1=O.Cc1ccc(S(=O)(=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL174754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKBPTHOQNINQOD-BNSHTTSQSA-M |
| Parent Compound | CHEMBL1181510 |
| Active Moiety | CHEMBL1181510 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.5
MW (Da)
3.42
ALogP
5
HBA
0
HBD
23.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 3700.0 | nM | 5.43 | 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