Compound Detail
CHEMBL500069
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Basic Information
| ChEMBL ID | CHEMBL500069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIVKWFIJGHPRQL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
2.79
ALogP
4
HBA
3
HBD
65.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 6.34 | 6.34 | 456.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 5.75 | 5.75 | 1760.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 456.0 | nM | 6.34 | Inhibition of IRAK4 | 18482836 |
| Mitogen-activated protein kinase 9 | IC50 | = | 1760.0 | nM | 5.75 | Inhibition of JNK2 | 18482836 |
| Mitogen-activated protein kinase 8 | IC50 | = | 2080.0 | nM | 5.68 | Inhibition of JNK1 | 18482836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18482836 | 10.1016/j.bmcl.2008.04.039 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 18482836 | 10.1016/j.bmcl.2008.04.039 | Mitogen-activated protein kinase 8 | 1 |
| 18482836 | 10.1016/j.bmcl.2008.04.039 | Mitogen-activated protein kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine