Compound Detail
CHEMBL4646628
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Basic Information
| ChEMBL ID | CHEMBL4646628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEAPHVHHVPDTKQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.42
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Ki 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Ki | = | 180.0 | nM | 6.75 | Inhibition of human p38alpha | 30978288 |
| Mitogen-activated protein kinase 14 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human p38alpha | 30978288 |
| Mitogen-activated protein kinase 11 | Ki | = | 320.0 | nM | 6.5 | Inhibition of human p38beta | 30978288 |
| Mitogen-activated protein kinase 11 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of human p38beta | 30978288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30978288 | 10.1021/acs.jmedchem.9b00058 | Mitogen-activated protein kinase 14 | 2 |
| 30978288 | 10.1021/acs.jmedchem.9b00058 | Mitogen-activated protein kinase 11 | 2 |
| 30978288 | 10.1021/acs.jmedchem.9b00058 | Casein kinase I isoform delta | 1 |
Data from ChEMBL 36 via Core Engine