Compound Detail
CHEMBL109873
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Basic Information
| ChEMBL ID | CHEMBL109873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJWSAJYUBXQQDR-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180004 |
| Active Moiety | CHEMBL1180004 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
228.4
MW (Da)
4.61
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.3 | 6.3 | 500.0 | 2 |
| Dynamin-1 CHEMBL4958 | IC50 | 4.79 | 4.79 | 16320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 500.0 | nM | 6.3 | In vitro activity against Plasmodium falciparum | 10669577 |
| Plasmodium falciparum | IC50 | = | 500.0 | nM | 6.3 | Inhibitory activity against Plasmodium falciparum | 9357523 |
| Dynamin-1 | IC50 | = | 16320.0 | nM | 4.79 | Concentration required against dynamin-1 GTPase activity of sheep brain. | 15149689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21794958 | 10.1016/j.ejmech.2011.06.026 | Staphylococcus aureus | 2 |
| 21794958 | 10.1016/j.ejmech.2011.06.026 | Enterococcus faecalis | 2 |
| 21794958 | 10.1016/j.ejmech.2011.06.026 | Escherichia coli | 2 |
| 21794958 | 10.1016/j.ejmech.2011.06.026 | Pseudomonas aeruginosa | 2 |
| 15149689 | 10.1016/j.bmcl.2004.03.096 | Dynamin-1 | 1 |
| 10669577 | 10.1021/jm9911027 | Plasmodium falciparum | 1 |
| 9357523 | 10.1021/jm9701886 | Plasmodium falciparum | 1 |
| 27809517 | 10.1021/acs.jmedchem.6b01435 | Staphylococcus aureus | 1 |
| 27809517 | 10.1021/acs.jmedchem.6b01435 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine