Compound Detail
CHEMBL254875
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Basic Information
| ChEMBL ID | CHEMBL254875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYDLLQQSZLGFKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
3.41
ALogP
7
HBA
3
HBD
91.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human Hsp90-alpha by fluorescence polarization assay | 18197612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18197612 | 10.1021/jm701385c | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine