Compound Detail
CHEMBL1232769
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Basic Information
| ChEMBL ID | CHEMBL1232769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVEYHFXOGUYFBU-SNVBAGLBSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
2.24
ALogP
8
HBA
1
HBD
103.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 8.92
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Kd | 8.92 | 8.92 | 1.2 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | Kd | 8.06 | 8.06 | 8.7 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | Kd | 7.8 | 7.8 | 16.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | Kd | 7.8 | 7.8 | 16.0 | 1 |
| Blood CHEMBL613416 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | Kd | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Kd | = | 1.2 | nM | 8.92 | Inhibition of p38alpha | 21515047 |
| Mitogen-activated protein kinase 14 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human recombinant p38alpha assessed as incorporation of 33P from g... | 21375264 |
| Mitogen-activated protein kinase 11 | Kd | = | 8.7 | nM | 8.06 | Inhibition of p38beta | 21515047 |
| Mitogen-activated protein kinase 9 | Kd | = | 16.0 | nM | 7.8 | Inhibition of JNK2 | 21515047 |
| Mitogen-activated protein kinase 10 | Kd | = | 16.0 | nM | 7.8 | Inhibition of JNK3 | 21515047 |
| Blood | IC50 | = | 50.0 | nM | 7.3 | Inhibition of TNFalpha-induced IL1-beta production in human whole blood after 2 ... | 21375264 |
| Mitogen-activated protein kinase 8 | Kd | = | 110.0 | nM | 6.96 | Inhibition of JNK1 | 21515047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21375264 | 10.1021/jm101423y | Caco-2 | 2 |
| 21515047 | 10.1016/j.bmcl.2011.03.098 | Mitogen-activated protein kinase 14 | 2 |
| 21515047 | 10.1016/j.bmcl.2011.03.098 | Mitogen-activated protein kinase 11 | 2 |
| 21515047 | 10.1016/j.bmcl.2011.03.098 | Mitogen-activated protein kinase 8 | 2 |
| 21515047 | 10.1016/j.bmcl.2011.03.098 | Mitogen-activated protein kinase 9 | 2 |
| 21515047 | 10.1016/j.bmcl.2011.03.098 | Mitogen-activated protein kinase 10 | 2 |
| 21375264 | 10.1021/jm101423y | Mitogen-activated protein kinase 14 | 1 |
| 21375264 | 10.1021/jm101423y | Blood | 1 |
| 21375264 | 10.1021/jm101423y | No relevant target | 1 |
| 21375264 | 10.1021/jm101423y | Plasma | 1 |
| 21375264 | 10.1021/jm101423y | Rattus norvegicus | 1 |
| 21515047 | 10.1016/j.bmcl.2011.03.098 | Casein kinase I isoform epsilon | 1 |
| 21515047 | 10.1016/j.bmcl.2011.03.098 | Cyclin-G-associated kinase | 1 |
| 21515047 | 10.1016/j.bmcl.2011.03.098 | Serine/threonine-protein kinase 36 | 1 |
Data from ChEMBL 36 via Core Engine