Compound Detail
CHEMBL5279304
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COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]
Basic Information
| ChEMBL ID | CHEMBL5279304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAUIQBMEUIXDRJ-YPPDDXJESA-N |
| Parent Compound | CHEMBL1201320 |
| Active Moiety | CHEMBL1201400 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.90
ALogP
5
HBA
1
HBD
83.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium CHEMBL4888483 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium | IC50 | = | 290.0 | nM | 6.54 | Antimalarial activity against Plasmodium | 32283298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32283298 | 10.1016/j.ejmech.2020.112275 | Plasmodium | 1 |
Data from ChEMBL 36 via Core Engine