Compound Detail
CHEMBL385820
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Basic Information
| ChEMBL ID | CHEMBL385820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXILWXKNRRTBCJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.1
MW (Da)
3.77
ALogP
5
HBA
2
HBD
68.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 700.0 | 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 | = | 250.0 | nM | 6.6 | Inhibition of MEK1 | 16725322 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of HCV recombinant NS5B polymerase | 17049853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16725322 | 10.1016/j.bmcl.2006.05.019 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 17049853 | 10.1016/j.bmcl.2006.10.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine