Compound Detail
CHEMBL456678
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Basic Information
| ChEMBL ID | CHEMBL456678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYZLHMNCPBFJAV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.3
MW (Da)
4.20
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-beta CHEMBL4303 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.78 | 4.78 | 16453.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-beta | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of Hsp90 | 19017562 |
| Heat shock protein HSP90 | IC50 | = | 16453.7 | nM | 4.78 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19017562 | 10.1016/j.bmc.2008.10.087 | Heat shock protein HSP 90-beta | 1 |
Data from ChEMBL 36 via Core Engine