Compound Detail
CHEMBL391692
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Nc1ncc(-c2cccc(Cl)c2)c2occ(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
Basic Information
| ChEMBL ID | CHEMBL391692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXUVPVMNMZKERT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
540.9
MW (Da)
8.20
ALogP
4
HBA
3
HBD
93.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 6.41 | 6.41 | 389.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.03 | 6.03 | 933.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.66 | 5.66 | 2188.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 389.0 | nM | 6.41 | Inhibition of human EphB4 by scintillation proximity method | 17027260 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 933.0 | nM | 6.03 | Inhibition of human recombinant GST-6XHis-VEGFR2 by HTRF method | 17027260 |
| Angiopoietin-1 receptor | IC50 | = | 2188.0 | nM | 5.66 | Inhibition of human recombinant GST-Tie2 by HTRF method | 17027260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17027260 | 10.1016/j.bmcl.2006.09.050 | Ephrin type-B receptor 4 | 1 |
| 17027260 | 10.1016/j.bmcl.2006.09.050 | Angiopoietin-1 receptor | 1 |
| 17027260 | 10.1016/j.bmcl.2006.09.050 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine