Compound Detail
CHEMBL5203009
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Basic Information
| ChEMBL ID | CHEMBL5203009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEXDAMRRPRYVPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.23
ALogP
7
HBA
1
HBD
95.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | IC50 | 4.4 | 4.4 | 39810.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 | IC50 | = | 39810.72 | nM | 4.4 | Inhibition of His6-tagged human NIK (330 to 680 residues) S549D mutant expressed... | 34212719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34212719 | 10.1021/acs.jmedchem.0c01249 | Mitogen-activated protein kinase kinase kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine