Compound Detail
CHEMBL221536
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Basic Information
| ChEMBL ID | CHEMBL221536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WENCWJUIDFEPSK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
4.93
ALogP
2
HBA
2
HBD
44.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 9 CHEMBL2872 | IC50 | 6.96 | 6.96 | 111.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 10 CHEMBL2873 | IC50 | 5.68 | 5.68 | 2088.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of GST-MLK3 expressed in baculovirus | 17266195 |
| High affinity nerve growth factor receptor | IC50 | = | 88.0 | nM | 7.06 | Inhibition of TrkA | 17266195 |
| Mitogen-activated protein kinase kinase kinase 9 | IC50 | = | 111.0 | nM | 6.96 | Inhibition of GST-MLK1 expressed in baculovirus | 17266195 |
| Mitogen-activated protein kinase kinase kinase 10 | IC50 | = | 2088.0 | nM | 5.68 | Inhibition of GST-MLK2 | 17266195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17266195 | 10.1021/jm051074u | Mitogen-activated protein kinase kinase kinase 9 | 2 |
| 17266195 | 10.1021/jm051074u | Platelet-derived growth factor receptor beta | 1 |
| 17266195 | 10.1021/jm051074u | Insulin receptor | 1 |
| 17266195 | 10.1021/jm051074u | Mitogen-activated protein kinase 8 | 1 |
| 17266195 | 10.1021/jm051074u | Angiopoietin-1 receptor | 1 |
| 17266195 | 10.1021/jm051074u | Mitogen-activated protein kinase 14 | 1 |
| 17266195 | 10.1021/jm051074u | Cyclin-dependent kinase 2 | 1 |
| 17266195 | 10.1021/jm051074u | Cyclin-dependent kinase 1 | 1 |
| 17266195 | 10.1021/jm051074u | Fibroblast growth factor receptor 1 | 1 |
| 17266195 | 10.1021/jm051074u | Epidermal growth factor receptor | 1 |
| 17266195 | 10.1021/jm051074u | Choline O-acetyltransferase | 1 |
| 17266195 | 10.1021/jm051074u | Vascular endothelial growth factor receptor 2 | 1 |
| 17266195 | 10.1021/jm051074u | High affinity nerve growth factor receptor | 1 |
| 17266195 | 10.1021/jm051074u | Protein kinase C (PKC) | 1 |
| 17266195 | 10.1021/jm051074u | Death-associated protein kinase 3 | 1 |
| 17266195 | 10.1021/jm051074u | Mitogen-activated protein kinase kinase kinase 10 | 1 |
| 17266195 | 10.1021/jm051074u | Mitogen-activated protein kinase kinase kinase 11 | 1 |
Data from ChEMBL 36 via Core Engine