Compound Detail
CHEMBL214613
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Basic Information
| ChEMBL ID | CHEMBL214613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHYYQEXTPOCECQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
3.75
ALogP
7
HBA
4
HBD
113.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.38
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | EC50 | 7.38 | 7.38 | 42.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9427.0 | ng.hr.mL-1 | Rattus norvegicus |
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 | = | 20.0 | nM | 7.7 | Inhibition of MEK-1 activity | 16934458 |
| Dual specificity mitogen-activated protein kinase kinase 1 | EC50 | = | 42.0 | nM | 7.38 | Inhibitory activity against MEK-1 | 16934458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16934458 | 10.1016/j.bmcl.2006.08.048 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 16934458 | 10.1016/j.bmcl.2006.08.048 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine