Compound Detail
CHEMBL122055
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Basic Information
| ChEMBL ID | CHEMBL122055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWWIIKLXUPZDOG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
234.2
MW (Da)
3.33
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | Kd | 7.14 | 7.14 | 72.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | Kd | = | 72.5 | nM | 7.14 | Determination of Binding Constants of HITS to TTR: Dissociation Constants (Kd) a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711308 | 10.1021/jm030347n | Transthyretin | 5 |
| 28625364 | 10.1016/j.bmcl.2017.05.080 | Transthyretin | 2 |
Data from ChEMBL 36 via Core Engine