Compound Detail
CHEMBL482264
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Basic Information
| ChEMBL ID | CHEMBL482264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCQZEZCNARMPGO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
3.52
ALogP
4
HBA
3
HBD
57.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.62 | 5.3467 | 2400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Hsp90 in human MCF7 cell lysates assessed as interaction with Cy3b... | 18571929 |
| Heat shock protein HSP90 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Hsp90 in human MCF7 cells assessed as Her2 level after 24 hrs by W... | 18571929 |
| Heat shock protein HSP90 | IC50 | = | 6250.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18571929 | 10.1016/j.bmc.2008.05.047 | Heat shock protein HSP90 | 2 |
Data from ChEMBL 36 via Core Engine