Compound Detail
CHEMBL3403511
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Basic Information
| ChEMBL ID | CHEMBL3403511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNKOYELZMMGVRH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.63
ALogP
7
HBA
0
HBD
69.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.78 | 6.78 | 166.3 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 6.78 | 6.78 | 166.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 166.3 | nM | 6.78 | Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min befo... | 25882519 |
| Platelet-derived growth factor receptor alpha | IC50 | = | 166.0 | nM | 6.78 | RTK inhibitory activity: RTK inhibitory activity of the compounds 2-12 were eval... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25882519 | 10.1016/j.bmc.2015.03.061 | NON-PROTEIN TARGET | 3 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | HeLa | 3 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | Unchecked | 2 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | SK-OV-3 | 1 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | MDA-MB-435 | 1 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | A-431 | 1 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | Platelet-derived growth factor receptor beta | 1 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | Vascular endothelial growth factor receptor 2 | 1 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine