Compound Detail
CHEMBL245948
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 | CHEMBL245948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROJPTCGXRHNIRD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
5.14
ALogP
7
HBA
2
HBD
101.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 8.22 | 7.645 | 6.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.34 | 6.34 | 456.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 73.68 | 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 | = | 6.0 | nM | 8.22 | Inhibition of Tie2 after 90 mins by HTRF assay | 17350837 |
| Angiopoietin-1 receptor | IC50 | = | 85.0 | nM | 7.07 | Inhibition of Tie2 autophosphorylation in EA.hy926 cells after 2.5 hrs | 17350837 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 456.0 | nM | 6.34 | Inhibition of KDR after 90 mins by HTRF assay | 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 | 1 |
| 17350837 | 10.1016/j.bmcl.2007.02.067 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine