Compound Detail
CHEMBL5590666
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N#Cc1cc(F)cc(Oc2ccc3c4c2[C@@H](F)[C@@H](F)[C@]4(O)C(F)(F)C3(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL5590666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBKXKZWZHRTYSX-OAGGEKHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.2
MW (Da)
4.78
ALogP
3
HBA
1
HBD
53.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Vascular endothelial growth factor A, long form CHEMBL1783 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 | EC50 | = | 2.0 | nM | 8.7 | Inhibition of HIF-2alpha (unknown origin) | 38959730 |
| Vascular endothelial growth factor A, long form | EC50 | = | 2.0 | nM | 8.7 | VEGF ELISA Assay: The ability of the disclosed compounds to inhibit HIF-2α was m... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38959730 | 10.1016/j.ejmech.2024.116645 | Endothelial PAS domain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine