Compound Detail
CHEMBL2413586
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Basic Information
| ChEMBL ID | CHEMBL2413586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYWBLKRAWMHTAL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
5.84
ALogP
6
HBA
0
HBD
61.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-beta CHEMBL4303 | Kd | 6.72 | 6.72 | 191.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-beta | Kd | = | 191.0 | nM | 6.72 | Binding affinity to human Hsp90 by surface plasmon resonance analysis | 23770448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23770448 | 10.1016/j.ejmech.2013.05.016 | Heat shock protein HSP 90-beta | 1 |
Data from ChEMBL 36 via Core Engine