Compound Detail
CHEMBL2335722
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Oc1ccc([C@@H]2C[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)cc3)[C@@H](O)C4)c3c(O)cc(O)cc3O2)cc1
Basic Information
| ChEMBL ID | CHEMBL2335722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWNROEJRQURIKY-VGGRNRAKSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
4.61
ALogP
9
HBA
7
HBD
160.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Kd 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Placenta growth factor CHEMBL1697671 | Kd | 7.96 | 7.96 | 11.0 | 1 |
| Vascular endothelial growth factor A, long form CHEMBL1783 | Kd | 7.8 | 7.8 | 16.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 4.82 | 4.56 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Placenta growth factor | Kd | = | 11.0 | nM | 7.96 | Binding affinity to recombinant PIGF1 (unknown origin) measured for 60 seconds b... | 23268742 |
| Vascular endothelial growth factor A, long form | Kd | = | 16.0 | nM | 7.8 | Binding affinity to recombinant VEGFA (unknown origin) measured for 60 seconds b... | 23268742 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of recombinant PlGF-1/VEGFR-1 (unknown origin) interaction after 1 hr... | 23268742 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of recombinant VEGF-A/VEGFR-1 (unknown origin) interaction after 1 hr... | 23268742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23268742 | 10.1021/np300614u | NON-PROTEIN TARGET | 6 |
| 23268742 | 10.1021/np300614u | Vascular endothelial growth factor receptor 1 | 3 |
| 23268742 | 10.1021/np300614u | MCF7 | 1 |
| 23268742 | 10.1021/np300614u | Jurkat | 1 |
| 23268742 | 10.1021/np300614u | Vascular endothelial growth factor A, long form | 1 |
| 23268742 | 10.1021/np300614u | Placenta growth factor | 1 |
Data from ChEMBL 36 via Core Engine