Compound Detail
CHEMBL5574005
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Basic Information
| ChEMBL ID | CHEMBL5574005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCWCJQJNXDWRRC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
4.13
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 5.85 | 5.85 | 1400.0 | 1 |
| Heat shock protein HSP 90-beta CHEMBL4303 | Kd | 5.47 | 5.47 | 3400.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Kd | = | 1400.0 | nM | 5.85 | Binding affinity to human N-terminal his tagged Hsp90alpha (1 to 241 residues) e... | 38788300 |
| Heat shock protein HSP 90-beta | Kd | = | 3400.0 | nM | 5.47 | Binding affinity to human N-terminal his tagged Hsp90beta (1 to 239 residues) ex... | 38788300 |
| Unchecked | Kd | = | 3600.0 | nM | 5.44 | 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