Compound Detail
CHEMBL2205245
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2205245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZFNSFSFTNJMTD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.8
MW (Da)
2.72
ALogP
6
HBA
1
HBD
78.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.58
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | EC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Hsp90alpha | 22938030 |
| Heat shock protein HSP 90-alpha | EC50 | = | 26.0 | nM | 7.58 | 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 | 2 |
Data from ChEMBL 36 via Core Engine