Compound Detail
CHEMBL5568823
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Basic Information
| ChEMBL ID | CHEMBL5568823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLTLTDFQWVSVGI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
5.02
ALogP
6
HBA
2
HBD
75.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Heat shock protein HSP 90-beta CHEMBL4303 | Kd | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Kd | = | 3.0 | nM | 8.52 | Binding affinity to human N-terminal his tagged Hsp90alpha (1 to 241 residues) e... | 38788300 |
| Heat shock protein HSP 90-beta | Kd | = | 11.0 | nM | 7.96 | Binding affinity to human N-terminal his tagged Hsp90beta (1 to 239 residues) ex... | 38788300 |
| Unchecked | Kd | = | 20.0 | nM | 7.7 | Binding affinity to human N-terminal his tagged Hsp90alpha S52A mutant expressed... | 38788300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38788300 | 10.1016/j.ejmech.2024.116505 | Unchecked | 2 |
| 38788300 | 10.1016/j.ejmech.2024.116505 | Heat shock protein HSP 90-alpha | 1 |
| 38788300 | 10.1016/j.ejmech.2024.116505 | Heat shock protein HSP 90-beta | 1 |
Data from ChEMBL 36 via Core Engine