Compound Detail
CHEMBL5094401
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5094401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDJKFOMCLVYRRK-OKILXGFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.44
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 5.55 | 5.55 | 2820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 2820.0 | nM | 5.55 | Binding affinity to human plasma TTR tetramer assessed as displacement of diclof... | 34138572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34138572 | 10.1021/acs.jmedchem.1c00099 | Transthyretin | 1 |
| 34138572 | 10.1021/acs.jmedchem.1c00099 | Retinol-binding protein 4 | 1 |
Data from ChEMBL 36 via Core Engine