Compound Detail
CHEMBL468781
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Basic Information
| ChEMBL ID | CHEMBL468781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDPCJGZBFZJXTQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.8
MW (Da)
2.13
ALogP
7
HBA
1
HBD
91.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-beta CHEMBL4303 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-beta | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Hsp90 assessed as Her2 degradation by cell based assay | 19017562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19017562 | 10.1016/j.bmc.2008.10.087 | NCI-N87 | 2 |
| 19017562 | 10.1016/j.bmc.2008.10.087 | Heat shock protein HSP 90-beta | 1 |
Data from ChEMBL 36 via Core Engine