Compound Detail
CHEMBL5518134
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 | CHEMBL5518134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMLWUZJSOFUJFG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
0.54
ALogP
7
HBA
2
HBD
109.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Kd 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.85 | 5.85 | 1416.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | Kd | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 1416.0 | nM | 5.85 | Antiproliferative activity against human HCT-116 cells assessed as inhibition of... | 38704936 |
| Signal transducer and activator of transcription 3 | Kd | = | 65000.0 | nM | 4.19 | Binding affinity to recombinant His-tagged STAT3 (127 to 722 residues) (unknown ... | 38704936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38704936 | 10.1016/j.ejmech.2024.116448 | Signal transducer and activator of transcription 3 | 2 |
| 38704936 | 10.1016/j.ejmech.2024.116448 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine