Compound Detail
CHEMBL2094716
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Basic Information
| ChEMBL ID | CHEMBL2094716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAUVAHLBBURONH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.1
MW (Da)
4.05
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 5.43 | 5.43 | 3707.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.43 | 5.43 | 3707.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.35 | 5.35 | 4460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 3707.0 | nM | 5.43 | FP Assay: The FP assay was then adapted for HTS and used to screen ~120,000 smal... | - |
| Unchecked | IC50 | = | 3707.0 | nM | 5.43 | The FP assay: The FP assay was then adapted for HTS and used to screen a 120,00... | - |
| Transthyretin | IC50 | = | 3707.0 | nM | 5.43 | Fluorescence Polarization Binding Assay: Table 3: The FP assay was then adapted ... | - |
| Trypanosoma brucei brucei | IC50 | = | 4460.0 | nM | 5.35 | DNDI: Inhibition of Human African Trypanosomiasis (HAT), STIB 795, in vitro | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 1 |
| - | 10.6019/CHEMBL2094269 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine