Compound Detail
CHEMBL1253308
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Basic Information
| ChEMBL ID | CHEMBL1253308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCKIUIHSHBFKFC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
3.17
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | Kd | 5.07 | 5.07 | 8600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | Kd | = | 8600.0 | nM | 5.07 | Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titrat... | 20718493 |
| Heat shock protein HSP90 | Kd | = | 8600.0 | nM | 5.07 | Binding affinity to HSP90 (unknown origin) by WaterLOGSY NMR analysis | 30769242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20718493 | 10.1021/jm100059d | Heat shock protein HSP90 | 1 |
| 30769242 | 10.1016/j.ejmech.2019.01.084 | Heat shock protein HSP90 | 1 |
Data from ChEMBL 36 via Core Engine