Compound Detail
CHEMBL5422596
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Basic Information
| ChEMBL ID | CHEMBL5422596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOSYHCQGAMQBMM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.1
MW (Da)
4.85
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Kd 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | Kd | 6.39 | 6.39 | 410.0 | 1 |
| Transthyretin CHEMBL3194 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | Kd | = | 410.0 | nM | 6.39 | Binding affinity to thyroxin binding site of TTR V30M mutant (unknown origin) ex... | 37311373 |
| Transthyretin | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of acid mediated TTR V30M mutant aggregation (unknown origin) express... | 37311373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37311373 | 10.1016/j.bmc.2023.117370 | Transthyretin | 5 |
Data from ChEMBL 36 via Core Engine