Compound Detail
CHEMBL276395
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Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1Oc1ncccc1-c1ccncn1
Basic Information
| ChEMBL ID | CHEMBL276395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLGAQJUHADDMHQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
533.5
MW (Da)
6.90
ALogP
6
HBA
1
HBD
80.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.44 | 6.44 | 366.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 366.0 | nM | 6.44 | Inhibition of Tie2 by HTRF assay | 17253678 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of KDR by HTRF assay | 17253678 |
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 |
Data from ChEMBL 36 via Core Engine