Compound Detail
CHEMBL4205939
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Basic Information
| ChEMBL ID | CHEMBL4205939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSGFTRLMFAGZII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.38
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | Kd | 5.9 | 5.9 | 1253.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | Kd | = | 1253.0 | nM | 5.9 | Binding affinity to transthyretin (unknown origin) by ITC method | 30133284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30133284 | 10.1021/acs.jmedchem.8b00817 | Transthyretin | 7 |
Data from ChEMBL 36 via Core Engine