Compound Detail
CHEMBL5542677
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Basic Information
| ChEMBL ID | CHEMBL5542677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCDMKUVEDVASID-GRSHGNNSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
417.3
MW (Da)
2.36
ALogP
8
HBA
3
HBD
103.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 300.0 | nM | 6.52 | Induction of autophagy in human HCT-116 cells assessed as increase in p62 expres... | 38295689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38295689 | 10.1016/j.ejmech.2023.116117 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine