Compound Detail
CHEMBL2047251
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 | CHEMBL2047251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLHWLKWHFRIZDW-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.38
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.44 | 4.44 | 36400.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.37 | 4.37 | 43000.0 | 2 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 4.12 | 4.12 | 75500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 13900.0 | nM | 4.86 | Antiproliferative activity against human A431 cells after 48 hrs by CYQUANT assa... | 22739090 |
| NON-PROTEIN TARGET | IC50 | = | 36400.0 | nM | 4.44 | Antiangiogenic activity in VEGF/bFGF-stimulated chicken embryo after 48 hrs by C... | 22739090 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of VEGFR2 in human U251 cells pretreated for 60 mins measured after 1... | 22739090 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 43000.0 | nM | 4.37 | Inhibition Assay: Inhibition of various kinase enzyme. | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 75500.0 | nM | 4.12 | Inhibition of PDGFRbeta in human SF539 cells pretreated for 60 mins measured aft... | 22739090 |
| Platelet-derived growth factor receptor beta | IC50 | = | 75500.0 | nM | 4.12 | Inhibition Assay: Inhibition of various kinase enzyme. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22739090 | 10.1016/j.bmc.2012.05.068 | NON-PROTEIN TARGET | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | A-431 | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Platelet-derived growth factor receptor beta | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Vascular endothelial growth factor receptor 2 | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Epidermal growth factor receptor | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 22739090 | 10.1016/j.bmc.2012.05.068 | Dihydroorotate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine