Compound Detail
CHEMBL2023489
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2023489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYPVGQBXTJNGFW-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
5
PK Parameters
14
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.27
ALogP
7
HBA
1
HBD
87.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.96 | 4.96 | 10990.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.4 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 23.44 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 24.55 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 3.7 | hr | Rattus norvegicus |
| T1/2 | 8.6 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha | IC50 | = | 3.0 | nM | 8.52 | Inhibition of PDGFRalpha | 22497760 |
| Platelet-derived growth factor receptor beta | IC50 | = | 4.0 | nM | 8.4 | Inhibition of PDGFRbeta | 22497760 |
| Hepatocyte growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of c-Met (unknown origin) by mobility shift assay | 38492541 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 200.0 | nM | 6.7 | Inhibition of CSF-1R | 22497760 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 10990.0 | nM | 4.96 | Inhibition of KDR | 22497760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Rattus norvegicus | 10 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | C6 | 3 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Canis familiaris | 3 |
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 30204441 | 10.1021/acs.jmedchem.8b00938 | Mast/stem cell growth factor receptor Kit | 3 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Platelet-derived growth factor receptor beta | 1 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Vascular endothelial growth factor receptor 2 | 1 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Platelet-derived growth factor receptor alpha | 1 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 30204441 | 10.1021/acs.jmedchem.8b00938 | BaF3 | 1 |
| 30204441 | 10.1021/acs.jmedchem.8b00938 | Vascular endothelial growth factor receptor 2 | 1 |
| 38492541 | 10.1016/j.bmc.2024.117681 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine