Compound Detail
CHEMBL470483
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Basic Information
| ChEMBL ID | CHEMBL470483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAXWPKHIRAUGLM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
5
PK Parameters
7
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
4.50
ALogP
4
HBA
3
HBD
97.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| UT7 CHEMBL614057 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6153.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 14.23 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2307.01 | nM | Rattus norvegicus |
| F | 53.0 | % | Rattus norvegicus |
| T1/2 | 3.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 7.0 | nM | 8.15 | Inhibition of c-kit | 18554909 |
| UT7 | IC50 | = | 11.0 | nM | 7.96 | Antiproliferative activity against stem cell factor-stimulated human UT7 cells | 18554909 |
| Mitogen-activated protein kinase 14 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of p38alpha | 18554909 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 470.0 | nM | 6.33 | Inhibition of KDR | 18554909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Rattus norvegicus | 6 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Unchecked | 2 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Liver microsomes | 2 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Mitogen-activated protein kinase 14 | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Mast/stem cell growth factor receptor Kit | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | UT7 | 1 |
| 18554909 | 10.1016/j.bmcl.2008.05.089 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine