Compound Detail
CHEMBL1762521
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Basic Information
| ChEMBL ID | CHEMBL1762521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPIWOLIEUWRHGI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
3.66
ALogP
8
HBA
1
HBD
66.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 7.77 | 7.425 | 17.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.5 | 6.5 | 313.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human EPHB4 | 21441027 |
| Ephrin type-B receptor 4 | IC50 | = | 84.0 | nM | 7.08 | Inhibition of human EphB4 autophosphorylation expressed in CHOK1 cells | 21441027 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 94.0 | nM | 7.03 | Inhibition of VEGFR2 | 21441027 |
| Fibroblast growth factor receptor 1 | IC50 | = | 313.0 | nM | 6.5 | Inhibition FGFR1 | 21441027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21441027 | 10.1016/j.bmcl.2011.03.009 | Ephrin type-B receptor 4 | 2 |
| 21441027 | 10.1016/j.bmcl.2011.03.009 | Vascular endothelial growth factor receptor 2 | 1 |
| 21441027 | 10.1016/j.bmcl.2011.03.009 | Fibroblast growth factor receptor 1 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine