Compound Detail
CHEMBL1231799
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Basic Information
| ChEMBL ID | CHEMBL1231799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKTRZQGZDAYEOG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.1
MW (Da)
4.14
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 6.13 | 6.13 | 741.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 741.0 | nM | 6.13 | Fluorescence Polarization Binding Assay: Table 3: The FP assay was then adapted ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28625364 | 10.1016/j.bmcl.2017.05.080 | Transthyretin | 2 |
Data from ChEMBL 36 via Core Engine