Compound Detail
CHEMBL205089
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Basic Information
| ChEMBL ID | CHEMBL205089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROYLPDZGPLFQSV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.89
ALogP
6
HBA
2
HBD
94.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
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 |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha | IC50 | = | 7.0 | nM | 8.15 | Inhibition of PDGFR alpha phosphorylation in G292 cell | 16570914 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 27.0 | nM | 7.57 | Inhibition of c-kit receptor phosphorylation in M07e cell | 16570914 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human VEGFR-2-mediated poly(Glu4Tyr) phosphorylation a... | 21353546 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human VEGFR-2 using poly(Glu4/Tyr) and [gamma32P]ATP a... | 22229669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16570914 | 10.1021/jm0506423 | Platelet-derived growth factor receptor alpha | 1 |
| 16570914 | 10.1021/jm0506423 | Mast/stem cell growth factor receptor Kit | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | Epidermal growth factor receptor | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | Vascular endothelial growth factor receptor 2 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | PC-3 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | HT-29 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | MCF7 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | NON-PROTEIN TARGET | 1 |
| 22229669 | 10.1021/jm2013453 | Epidermal growth factor receptor | 1 |
| 22229669 | 10.1021/jm2013453 | Vascular endothelial growth factor receptor 2 | 1 |
| 22229669 | 10.1021/jm2013453 | No relevant target | 1 |
| 22229669 | 10.1021/jm2013453 | PC-3 | 1 |
| 22229669 | 10.1021/jm2013453 | HT-29 | 1 |
| 22229669 | 10.1021/jm2013453 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine