Compound Detail
CHEMBL5426941
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Basic Information
| ChEMBL ID | CHEMBL5426941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQULNTWGBBNZSC-SNAWJCMRSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
2.68
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.96
Ki 1 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | Kd | 4.96 | 4.905 | 11000.0 | 2 |
| Transthyretin CHEMBL3194 | Ki | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | Kd | = | 11000.0 | nM | 4.96 | Binding affinity to N-terminal hexa-histidine tagged TTR V30M mutant (unknown or... | 37910439 |
| Transthyretin | Kd | = | 14000.0 | nM | 4.85 | Binding affinity to recombinant N-terminal hexa-histidine tagged TTR V30M mutant... | 37910439 |
| Transthyretin | Ki | = | 54000.0 | nM | 4.27 | Inhibition of recombinant N-terminal hexa-histidine tagged TTR V30M mutant (unkn... | 37910439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37910439 | 10.1021/acs.jmedchem.3c01698 | Transthyretin | 7 |
Data from ChEMBL 36 via Core Engine