Compound Detail
CHEMBL2376681
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Basic Information
| ChEMBL ID | CHEMBL2376681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAQKSUMFSKWEMM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.2
MW (Da)
5.20
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 6.39 | 6.39 | 408.0 | 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 | = | 99.0 | nM | 7.0 | Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay | 23474388 |
| A-375 | IC50 | = | 408.0 | nM | 6.39 | Antiproliferative activity against human A375 cells expressing BRAF V600E mutant... | 23474388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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