Compound Detail
CHEMBL2205798
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Basic Information
| ChEMBL ID | CHEMBL2205798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAXQRXZBXHBFPQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
371.8
MW (Da)
2.08
ALogP
7
HBA
2
HBD
99.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.82
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 0.7 | nM | 9.15 | Inhibition of Hsp90alpha | 22938030 |
| Heat shock protein HSP 90-alpha | EC50 | = | 15.0 | nM | 7.82 | Inhibition of HSP90alpha in human MCF7 cells assessed as degradation of Her-2 | 22938030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22938030 | 10.1021/jm300810x | Heat shock protein HSP 90-alpha | 3 |
Data from ChEMBL 36 via Core Engine