Compound Detail
CHEMBL4580862
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Basic Information
| ChEMBL ID | CHEMBL4580862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZJBHOKSLBHUHM-VZUCSPMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
1.76
ALogP
7
HBA
1
HBD
102.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 4.44 | 4.44 | 36620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 36620.0 | nM | 4.44 | Inhibition of 6x-His tagged human recombinant full length Hsp90alpha ATPase prei... | 27527413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27527413 | 10.1016/j.bmc.2016.07.067 | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine