Compound Detail
CHEMBL3987064
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Basic Information
| ChEMBL ID | CHEMBL3987064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCPBLHRHORTTKB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
3.66
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 5.59 | 5.59 | 2590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 2590.0 | nM | 5.59 | Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-medi... | 27541261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27541261 | 10.1016/j.ejmech.2016.08.003 | Transthyretin | 3 |
Data from ChEMBL 36 via Core Engine