Compound Detail
CHEMBL4859451
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Basic Information
| ChEMBL ID | CHEMBL4859451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSPLKKLFDPBGPY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
3.07
ALogP
8
HBA
3
HBD
114.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 11.0
EC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 0.01 | nM | 11.0 | Inhibition of human HPK1 catalytic domain (1 to 346 residues) using His-tagged S... | 37465291 |
| Unchecked | EC50 | = | 180.0 | nM | 6.75 | Antiinflammatory activity in human PBMC assessed as reduction in IL-2 production... | 33859804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33859804 | 10.1021/acsmedchemlett.1c00096 | Mitogen-activated protein kinase kinase kinase kinase 1 | 1 |
| 33859804 | 10.1021/acsmedchemlett.1c00096 | Unchecked | 1 |
| 37465291 | 10.1021/acsmedchemlett.3c00249 | Mitogen-activated protein kinase kinase kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine