Compound Detail
CHEMBL116428
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Basic Information
| ChEMBL ID | CHEMBL116428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUULRRRRHXQEMB-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180198 |
| Active Moiety | CHEMBL1180198 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
5.38
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.68 | 6.68 | 210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 210.0 | nM | 6.68 | In vitro activity against Plasmodium falciparum | 10669577 |
| Plasmodium falciparum | IC50 | = | 210.0 | nM | 6.68 | Inhibitory activity against Plasmodium falciparum | 9357523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669577 | 10.1021/jm9911027 | Plasmodium falciparum | 1 |
| 9357523 | 10.1021/jm9701886 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine