Compound Detail
CHEMBL2087746
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Basic Information
| ChEMBL ID | CHEMBL2087746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXTCUOIXEIJQJC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
3.21
ALogP
5
HBA
2
HBD
85.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 13 CHEMBL2939 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Blood CHEMBL613416 | IC50 | 6.08 | 6.08 | 822.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 13 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of p38alpha | 22521646 |
| Blood | IC50 | = | 822.0 | nM | 6.08 | Inhibition of LPS-induced TNFalpha production in human whole blood | 22521646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22521646 | 10.1016/j.bmcl.2012.03.099 | Mitogen-activated protein kinase 13 | 1 |
| 22521646 | 10.1016/j.bmcl.2012.03.099 | Blood | 1 |
Data from ChEMBL 36 via Core Engine