Compound Detail
CHEMBL4537653
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Basic Information
| ChEMBL ID | CHEMBL4537653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHSUNMGWJYCGOA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
4.06
ALogP
4
HBA
4
HBD
99.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 7.35 | 7.35 | 44.7 | 1 |
| A549 CHEMBL392 | IC50 | 6.87 | 6.87 | 135.9 | 1 |
| Lymphokine-activated killer T-cell-originated protein kinase CHEMBL4896 | IC50 | 5.82 | 5.82 | 1505.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 44.73 | nM | 7.35 | Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay | 30453248 |
| A549 | IC50 | = | 135.9 | nM | 6.87 | Antiproliferative activity against human A549 cells after 72 hrs by MTT assay | 30453248 |
| Lymphokine-activated killer T-cell-originated protein kinase | IC50 | = | 1505.0 | nM | 5.82 | Inhibition of human TOPK using MBP as substrate after 2 hrs in presence of [gamm... | 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