Compound Detail
CHEMBL5281886
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Basic Information
| ChEMBL ID | CHEMBL5281886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGFVOKJJQCQLJX-TYUFSLCMSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
1.09
ALogP
8
HBA
1
HBD
93.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
EC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | IC50 | 6.7 | 6.7 | 201.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 13 CHEMBL1163124 | IC50 | 6.61 | 6.61 | 247.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | EC50 | 5.97 | 5.97 | 1072.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 | IC50 | = | 201.0 | nM | 6.7 | Inhibition of recombinant N-terminal GST-tagged human DLK (9 to 111 residues) ex... | 36469401 |
| Mitogen-activated protein kinase kinase kinase 13 | IC50 | = | 247.0 | nM | 6.61 | Inhibition of recombinant N-terminal GST-tagged human LZK (9 to 114 residues) ex... | 36469401 |
| Mitogen-activated protein kinase kinase kinase 12 | EC50 | = | 1072.0 | nM | 5.97 | Inhibition of human DLK expressed in HEK cells assessed as reduction in phospho-... | 36469401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36469401 | 10.1021/acs.jmedchem.2c01056 | Mitogen-activated protein kinase kinase kinase 12 | 2 |
| 36469401 | 10.1021/acs.jmedchem.2c01056 | Mitogen-activated protein kinase kinase kinase 13 | 1 |
Data from ChEMBL 36 via Core Engine