Compound Detail
CHEMBL1231552
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 | CHEMBL1231552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPZLYGXXDVGCGM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
2.16
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Kd 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | Kd | 5.96 | 5.96 | 1100.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | Kd | = | 1100.0 | nM | 5.96 | Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titrat... | 20718493 |
| HCT-116 | IC50 | = | 22000.0 | nM | 4.66 | Antiproliferative activity against human HCT116 cells by Alamar blue assay | 20718493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20718493 | 10.1021/jm100059d | Heat shock protein HSP90 | 1 |
| 20718493 | 10.1021/jm100059d | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine