Compound Detail
CHEMBL4591205
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 | CHEMBL4591205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGWJMVXANDVSAJ-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.73
ALogP
3
HBA
3
HBD
79.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lymphokine-activated killer T-cell-originated protein kinase CHEMBL4896 | IC50 | 6.65 | 6.65 | 223.7 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.02 | 6.02 | 962.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lymphokine-activated killer T-cell-originated protein kinase | IC50 | = | 223.7 | nM | 6.65 | Inhibition of human TOPK using MBP as substrate after 2 hrs in presence of [gamm... | 30453248 |
| HCT-116 | IC50 | = | 962.0 | nM | 6.02 | Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay | 30453248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30453248 | 10.1016/j.ejmech.2018.11.007 | Lymphokine-activated killer T-cell-originated protein kinase | 1 |
| 30453248 | 10.1016/j.ejmech.2018.11.007 | A549 | 1 |
| 30453248 | 10.1016/j.ejmech.2018.11.007 | HCT-116 | 1 |
| 30453248 | 10.1016/j.ejmech.2018.11.007 | HCT-15 | 1 |
Data from ChEMBL 36 via Core Engine