Compound Detail
CHEMBL95069
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Basic Information
| ChEMBL ID | CHEMBL95069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCXKYIYUQGZFAQ-JYFOCSDGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
3.37
ALogP
8
HBA
4
HBD
140.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 CHEMBL2111289 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 300.0 | nM | 6.52 | Non-competitive inhibition of the dual specificity kinase MEK | 9873633 |
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | IC50 | = | 400.0 | nM | 6.4 | Ability to antagonise AP-1 transcriptional activity | 9873633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873633 | 10.1016/s0960-894x(98)00522-8 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 9873633 | 10.1016/s0960-894x(98)00522-8 | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | 1 |
Data from ChEMBL 36 via Core Engine