Compound Detail
CHEMBL5785748
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=S(=O)(c1ccc(Oc2cc(F)c[n+]([O-])c2)c2c1[C@H](O)C(F)(F)C2)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5785748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMYWEOIGSZVTMX-ZDUSSCGKSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
429.3
MW (Da)
2.77
ALogP
5
HBA
1
HBD
90.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.85
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Vascular endothelial growth factor A, long form CHEMBL1783 | EC50 | 6.85 | 6.85 | 140.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 | IC50 | = | 16.0 | nM | 7.8 | Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10... | - |
| Vascular endothelial growth factor A, long form | EC50 | = | 140.0 | nM | 6.85 | ELISA Assay: Four hours later, serial dilutions of 10× compound stocks were made... | - |
| Vascular endothelial growth factor A, long form | EC50 | = | 140.0 | nM | 6.85 | ELISA Assay: About 7500 of 786-0 cells in 180 μL of growth medium were seeded in... | - |
| Vascular endothelial growth factor A, long form | EC50 | = | 140.0 | nM | 6.85 | ELISA Assay: VEGF: Four hours later, serial dilutions of 10x compound stocks wer... | - |
Data from ChEMBL 36 via Core Engine