Compound Detail
CHEMBL4872723
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Basic Information
| ChEMBL ID | CHEMBL4872723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORHOFZHZKBMJDI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
4.17
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 4 CHEMBL2897 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 7 CHEMBL3530 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 4 | IC50 | = | 310.0 | nM | 6.51 | Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed... | 34676038 |
| Dual specificity mitogen-activated protein kinase kinase 7 | IC50 | = | 840.0 | nM | 6.08 | Inhibition of human recombinant full length N-terminal GST tagged MEK7 expressed... | 34676038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34676038 | 10.1021/acsmedchemlett.1c00376 | Dual specificity mitogen-activated protein kinase kinase 4 | 1 |
| 34676038 | 10.1021/acsmedchemlett.1c00376 | Dual specificity mitogen-activated protein kinase kinase 7 | 1 |
| 34676038 | 10.1021/acsmedchemlett.1c00376 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine