Compound Detail
CHEMBL5175104
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Basic Information
| ChEMBL ID | CHEMBL5175104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFBGKCCTJNYZMA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.76
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Huntingtin CHEMBL5514 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Huntingtin | IC50 | = | 80.0 | nM | 7.1 | Inhibition of HTT (unknown origin) | 35916496 |
| Huntingtin | IC50 | = | 80.0 | nM | 7.1 | Inhibition of HTT (unknown origin) by HTS assay | 36490325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35916496 | 10.1021/acs.jmedchem.2c00875 | Huntingtin | 1 |
| 36490325 | 10.1021/acs.jmedchem.2c00799 | Huntingtin | 1 |
Data from ChEMBL 36 via Core Engine