Compound Detail
CHEMBL241453
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Basic Information
| ChEMBL ID | CHEMBL241453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AARAIFZDFDNWOI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
3.30
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.88
Kd 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | Kd | 7.06 | 7.06 | 88.0 | 1 |
| Transthyretin CHEMBL3194 | IC50 | 5.88 | 5.88 | 1310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | Kd | = | 88.0 | nM | 7.06 | Binding affinity to transthyretin at pH 4.4 | 17948976 |
| Transthyretin | IC50 | = | 1310.0 | nM | 5.88 | Inhibition of transthyretin fibril formation at pH 4.4 | 17948976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17948976 | 10.1021/jm0700159 | Transthyretin | 8 |
| 17948976 | 10.1021/jm0700159 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine