Compound Detail
CHEMBL218632
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Basic Information
| ChEMBL ID | CHEMBL218632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVIWALRWYYSHSU-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
5.95
ALogP
6
HBA
2
HBD
89.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 9.0 | 8.5 | 1.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 8.06 | 7.86 | 8.7 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| RD CHEMBL614144 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Tie2 by HTRF assay | 17253678 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of KDR by HTRF assay | 17253678 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of KDR | 17253679 |
| Tyrosine-protein kinase Yes | IC50 | = | 8.7 | nM | 8.06 | Inhibition of Yes1 (unknown origin) assessed as kinase-dependent enzymatic produ... | 23787099 |
| Angiopoietin-1 receptor | IC50 | = | 10.0 | nM | 8.0 | Inhibition of angiopoietin-1-stimulated Tie2 phosphorylation in EA.hy926 cells | 17253678 |
| Tyrosine-protein kinase Yes | IC50 | = | 22.0 | nM | 7.66 | Inhibition of Yes1 (unknown origin) by [gamma-33P]-ATP radiolabeled enzyme activ... | 23787099 |
| NON-PROTEIN TARGET | IC50 | = | 6000.0 | nM | 5.22 | Antiproliferative activity against human Rh30 cells after 48 hrs by CellTiter-Gl... | 23787099 |
| RD | IC50 | = | 10500.0 | nM | 4.98 | Antiproliferative activity against human RD cells after 48 hrs by CellTiter-Glo ... | 23787099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17253678 | 10.1021/jm061107l | Angiopoietin-1 receptor | 2 |
| 23787099 | 10.1016/j.bmcl.2013.05.072 | Tyrosine-protein kinase Yes | 2 |
| 17253678 | 10.1021/jm061107l | Vascular endothelial growth factor receptor 2 | 1 |
| 17253679 | 10.1021/jm061112p | Angiopoietin-1 receptor | 1 |
| 17253679 | 10.1021/jm061112p | Vascular endothelial growth factor receptor 2 | 1 |
| 17253679 | 10.1021/jm061112p | Tyrosine-protein kinase Lck | 1 |
| 23787099 | 10.1016/j.bmcl.2013.05.072 | NON-PROTEIN TARGET | 1 |
| 23787099 | 10.1016/j.bmcl.2013.05.072 | RD | 1 |
Data from ChEMBL 36 via Core Engine