Compound Detail
CHEMBL221484
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Cc1ccc(C(=O)Nc2cc(CCCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1
Basic Information
| ChEMBL ID | CHEMBL221484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHHGYJBFPVJURR-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
6.36
ALogP
6
HBA
2
HBD
83.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.7 | 8.7 | 2.0 | 3 |
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 |
| Angiopoietin-1 receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Tie2 after 90 mins by HTRF assay | 17350837 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of KDR by HTRF assay | 17253678 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of KDR after 90 mins by HTRF assay | 17350837 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of KDR by HTRF assay | 18324761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17253678 | 10.1021/jm061107l | Vascular endothelial growth factor receptor 2 | 1 |
| 17253678 | 10.1021/jm061107l | Angiopoietin-1 receptor | 1 |
| 17350837 | 10.1016/j.bmcl.2007.02.067 | Angiopoietin-1 receptor | 1 |
| 17350837 | 10.1016/j.bmcl.2007.02.067 | Vascular endothelial growth factor receptor 2 | 1 |
| 18324761 | 10.1021/jm701097z | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine