Compound Detail
CHEMBL4642063
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Basic Information
| ChEMBL ID | CHEMBL4642063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJMURTHIPWRIMC-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
3.25
ALogP
8
HBA
3
HBD
99.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | IC50 | 6.87 | 6.87 | 135.7 | 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 | = | 135.7 | nM | 6.87 | Inhibition of recombinant N-terminal GST-fused human NIK (319 to 947 residues) e... | 32479083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32479083 | 10.1021/acs.jmedchem.0c00055 | T-cell | 3 |
| 32479083 | 10.1021/acs.jmedchem.0c00055 | Mitogen-activated protein kinase kinase kinase 14 | 1 |
| 32479083 | 10.1021/acs.jmedchem.0c00055 | J774 | 1 |
Data from ChEMBL 36 via Core Engine