Compound Detail
CHEMBL217117
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Basic Information
| ChEMBL ID | CHEMBL217117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYGNBWZSSLKQBB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.51
ALogP
8
HBA
4
HBD
137.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.56
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | EC50 | 6.56 | 6.56 | 278.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4251.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 8540.0 | 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 | = | 150.0 | nM | 6.82 | Inhibition of MEK-1 activity | 16934458 |
| Dual specificity mitogen-activated protein kinase kinase 1 | EC50 | = | 278.0 | nM | 6.56 | 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 | 2 |
Data from ChEMBL 36 via Core Engine