Compound Detail
CHEMBL366215
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Basic Information
| ChEMBL ID | CHEMBL366215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATDJWAWLZURHME-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.8
MW (Da)
2.92
ALogP
5
HBA
4
HBD
121.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| ATP-dependent molecular chaperone HSC82 CHEMBL4199 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 53.0 | nM | 7.28 | Inhibitory concentration against activity of Hsp90 was determined by fluorescenc... | 15974572 |
| ATP-dependent molecular chaperone HSC82 | IC50 | = | 420.0 | nM | 6.38 | Inhibitory concentration against ATPase activity of Hsp90 of Saccharomyces cerev... | 15974572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974572 | 10.1021/jm050355z | Heat shock protein HSP 90-alpha | 1 |
| 15974572 | 10.1021/jm050355z | ATP-dependent molecular chaperone HSC82 | 1 |
| 15974572 | 10.1021/jm050355z | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine