Compound Detail
CHEMBL4099078
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Basic Information
| ChEMBL ID | CHEMBL4099078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJKAFOVWEVEQIT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
332.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
EC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.21 | 120.0 | 2 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of wild type Candida albicans Fructose-1,6-Bisphosphate Aldolase tran... | 35099959 |
| Unchecked | IC50 | = | 3160.0 | nM | 5.5 | Inhibition of recombinant Trypanosoma brucei His6-tagged HK1 expressed in Escher... | 28043795 |
| Trypanosoma brucei | EC50 | = | 13000.0 | nM | 4.89 | Antitrypanosomal activity against Trypanosoma brucei 427 bloodstream forms after... | 28043795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35099959 | 10.1021/acs.jmedchem.1c02102 | Candida albicans | 4 |
| 28043795 | 10.1016/j.bmcl.2016.12.021 | Unchecked | 2 |
| 28043795 | 10.1016/j.bmcl.2016.12.021 | Trypanosoma brucei | 2 |
| 35099959 | 10.1021/acs.jmedchem.1c02102 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine