Compound Detail
CHEMBL2401985
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Basic Information
| ChEMBL ID | CHEMBL2401985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLUQRPRROMYGSX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
5.89
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 5.46 | 5.46 | 3455.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 3.8 | nM | 8.42 | Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrat... | 23746475 |
| Mitogen-activated protein kinase 11 | IC50 | = | 3455.0 | nM | 5.46 | Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate... | 23746475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23746475 | 10.1016/j.bmcl.2013.05.047 | MAP kinase p38 | 1 |
| 23746475 | 10.1016/j.bmcl.2013.05.047 | Mitogen-activated protein kinase 11 | 1 |
| 23746475 | 10.1016/j.bmcl.2013.05.047 | Unchecked | 1 |
| 23746475 | 10.1016/j.bmcl.2013.05.047 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine