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Compound Detail

CHEMBL5590686

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O[C@H]1c2c(C(F)(F)F)ncc(OC3CC(F)(F)C3)c2[C@@H](F)[C@H]1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590686
Phase Preclinical
Structure Type MOL
InChI Key DVETUEMAJJBQMN-BBBLOLIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.2
MW (Da)
3.67
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10F7NO2
MW 345.21
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.10

Activity Summary

EC50 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
 EC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endothelial PAS domain-containing protein 1 EC50 = 21.0 nM 7.68 Inhibition of HIF-2alpha (unknown origin) 38959730

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