Compound Detail
CHEMBL429516
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 | CHEMBL429516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYQDPWAYLMNNKF-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.4
MW (Da)
4.80
ALogP
6
HBA
4
HBD
117.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Ki 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 6.46 | 6.46 | 345.0 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of KDR in presence of 1 mM ATP | 18362070 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of Flt3 | 18362070 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 22.0 | nM | 7.66 | Inhibition of cKit | 18362070 |
| High affinity nerve growth factor receptor | Ki | = | 125.89 | nM | 6.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 345.0 | nM | 6.46 | Inhibition of VEGF-induced KDR phosphorylation in mouse 3T3 cells | 18362070 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon | Ki | = | 3162.28 | nM | 5.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18362070 | 10.1016/j.bmcl.2008.03.021 | Vascular endothelial growth factor receptor 2 | 2 |
| 18362070 | 10.1016/j.bmcl.2008.03.021 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 18362070 | 10.1016/j.bmcl.2008.03.021 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine