Compound Detail
CHEMBL1795685
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Basic Information
| ChEMBL ID | CHEMBL1795685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVLJXGMAEGUPMP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
2.43
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.42
Ki 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 11 CHEMBL3961 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 11 | Ki | = | 17.0 | nM | 7.77 | Inhibition of p38beta kinase | 21620699 |
| Mitogen-activated protein kinase 14 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of p38alpha kinase | 21620699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Liver microsomes | 2 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Mitogen-activated protein kinase 14 | 1 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Rattus norvegicus | 1 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | No relevant target | 1 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Mitogen-activated protein kinase 11 | 1 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Mitogen-activated protein kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine