Compound Detail
CHEMBL1253208
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1253208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIPBRZXDWSODDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
205.7
MW (Da)
2.38
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | Kd | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | Kd | = | 2000.0 | nM | 5.7 | Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titrat... | 20718493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20718493 | 10.1021/jm100059d | Heat shock protein HSP90 | 1 |
| 30006172 | 10.1016/j.ejmech.2018.07.010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine