Compound Detail
CHEMBL442167
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Basic Information
| ChEMBL ID | CHEMBL442167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGFCFXZNDOSLIL-VOTSOKGWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.88
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 5.51 | 5.51 | 3070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 3070.0 | nM | 5.51 | Inhibition of wild type TTR amyloidogenesis assessed as inhibition of fibril for... | 20081815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20081815 | 10.1038/nchembio.281 | Transthyretin | 6 |
| 2113949 | 10.1021/jm00169a010 | Cyclooxygenase | 3 |
| 2113949 | 10.1021/jm00169a010 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 20081815 | 10.1038/nchembio.281 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine