Compound Detail
CHEMBL2376684
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2376684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYIWPULEPGGJII-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
523.3
MW (Da)
5.16
ALogP
4
HBA
3
HBD
93.5
PSA (Ų)
0.39
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.64 | 5.64 | 2290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay | 23474388 |
| A-375 | IC50 | = | 50.0 | nM | 7.3 | Antiproliferative activity against human A375 cells expressing BRAF V600E mutant... | 23474388 |
| HCT-116 | IC50 | = | 2290.0 | nM | 5.64 | Antiproliferative activity against human HCT116 cells expressing KRAS G13D mutan... | 23474388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23474388 | 10.1016/j.bmcl.2013.02.028 | HCT-116 | 1 |
| 23474388 | 10.1016/j.bmcl.2013.02.028 | A-375 | 1 |
| 23474388 | 10.1016/j.bmcl.2013.02.028 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine