Compound Detail
CHEMBL3329977
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Basic Information
| ChEMBL ID | CHEMBL3329977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQDCPCFNGMXEHG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
2.76
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 7 CHEMBL3530 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 7 | IC50 | = | 1.9 | nM | 8.72 | Inhibition of MEK7 (unknown origin) | 32389527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32389527 | 10.1016/j.bmcl.2020.127203 | Unchecked | 2 |
| 25084145 | 10.1016/j.ejmech.2014.06.070 | Unchecked | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Dual specificity mitogen-activated protein kinase kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine