Compound Detail
CHEMBL220640
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Basic Information
| ChEMBL ID | CHEMBL220640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPHMTTDYJZMQAN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
6.38
ALogP
8
HBA
2
HBD
111.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.66 | 7.435 | 22.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 12.83 | mL.min-1.kg-1 | Rattus norvegicus |
| MRT | 0.47 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 22.0 | nM | 7.66 | Inhibition of Tie2 by HTRF assay | 17253678 |
| Angiopoietin-1 receptor | IC50 | = | 61.0 | nM | 7.21 | Inhibition of angiopoietin-1-stimulated Tie2 phosphorylation in EA.hy926 cells | 17253678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17253678 | 10.1021/jm061107l | Angiopoietin-1 receptor | 2 |
| 17253678 | 10.1021/jm061107l | Rattus norvegicus | 2 |
| 17253678 | 10.1021/jm061107l | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine