Compound Detail
CHEMBL4872743
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Basic Information
| ChEMBL ID | CHEMBL4872743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSIQVHZYQHUYGP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
4.08
ALogP
7
HBA
3
HBD
105.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.78
IC50 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.78 | 6.78 | 167.0 | 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 | = | 0.11 | nM | 9.96 | Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr ... | 33859804 |
| Unchecked | EC50 | = | 167.0 | nM | 6.78 | 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 |
Data from ChEMBL 36 via Core Engine