Compound Detail
CHEMBL98130
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Basic Information
| ChEMBL ID | CHEMBL98130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOUNORLHGGWAFT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
5.64
ALogP
4
HBA
1
HBD
57.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) CHEMBL2111351 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) | IC50 | = | 125.0 | nM | 6.9 | Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA | 11133101 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 680.0 | nM | 6.17 | Inhibition of ERK-phosphorylation by MEK-ERK in direct ELISA | 11133101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11133101 | 10.1016/s0960-894x(00)00580-1 | Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) | 1 |
| 11133101 | 10.1016/s0960-894x(00)00580-1 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine