Compound Detail
CHEMBL259922
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Basic Information
| ChEMBL ID | CHEMBL259922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMOVZKURWYNTLN-UHFFFAOYSA-N |
12
Targets
14
Activities
2
Assay Types
4
PK Parameters
20
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
4.11
ALogP
8
HBA
2
HBD
110.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 9.7
IC50 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Tyrosine-protein kinase FRK CHEMBL4223 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| SRSF protein kinase 1 CHEMBL4375 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.0 | mL.min-1.kg-1 | Mus musculus |
| F | 60.0 | % | Mus musculus |
| T1/2 | 4.1 | hr | Mus musculus |
| Vd | 1.3 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Unchecked | 6 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Mus musculus | 5 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Liver microsomes | 2 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Mitogen-activated protein kinase 14 | 2 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Insulin-like growth factor 1 receptor | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Protein kinase C eta type | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Protein kinase C delta type | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Protein kinase C alpha type | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Dual specificity mitogen-activated protein kinase kinase 2 | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Tyrosine-protein kinase SYK | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Fibroblast growth factor receptor 1 | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Tyrosine-protein kinase Lck | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Tyrosine-protein kinase JAK3 | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Cytochrome P450 2C9 | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Tyrosine-protein kinase ITK/TSK | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Cyclin-dependent kinase 2 | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | RAC-alpha serine/threonine-protein kinase | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | Vascular endothelial growth factor receptor 2 | 1 |
| 18359226 | 10.1016/j.bmcl.2008.03.019 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine