Compound Detail
CHEMBL246355
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Basic Information
| ChEMBL ID | CHEMBL246355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHZLFQDEWDADBD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
5.12
ALogP
8
HBA
2
HBD
106.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.77 | 7.705 | 17.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.95 | 5.275 | 1126.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 63.75 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 17.0 | nM | 7.77 | Inhibition of Tie2 after 90 mins by HTRF assay | 17350837 |
| Angiopoietin-1 receptor | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Tie2 autophosphorylation in EA.hy926 cells after 2.5 hrs | 17350837 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1126.0 | nM | 5.95 | Inhibition of KDR after 90 mins by HTRF assay | 17350837 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of KDR autophosphorylation in EA.hy926 cells after 2.5 hrs | 17350837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17350837 | 10.1016/j.bmcl.2007.02.067 | Angiopoietin-1 receptor | 2 |
| 17350837 | 10.1016/j.bmcl.2007.02.067 | Vascular endothelial growth factor receptor 2 | 2 |
| 17350837 | 10.1016/j.bmcl.2007.02.067 | Rattus norvegicus | 1 |
| 17350837 | 10.1016/j.bmcl.2007.02.067 | Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) | 1 |
Data from ChEMBL 36 via Core Engine