Compound Detail
CHEMBL180308
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Basic Information
| ChEMBL ID | CHEMBL180308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWLZIHLAMJDONF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.7
MW (Da)
6.65
ALogP
4
HBA
0
HBD
51.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
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 | 5.05 | 5.05 | 9000.0 | 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 | = | 9000.0 | nM | 5.05 | Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells | 15225706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225706 | 10.1016/j.bmcl.2004.05.048 | HCT-116 | 2 |
| 15225706 | 10.1016/j.bmcl.2004.05.048 | Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) | 1 |
Data from ChEMBL 36 via Core Engine