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Compound Detail

CHEMBL5593441

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CS(=O)(=O)c1ccc(N2CCCc3ccccc32)c2c1[C@H](O)[C@H](F)C2

Basic Information

ChEMBL ID CHEMBL5593441
Phase Preclinical
Structure Type MOL
InChI Key MIMYASAFTCKQNA-AUUYWEPGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.10
ALogP
4
HBA
1
HBD
57.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20FNO3S
MW 361.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.74

Activity Summary

EC50 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
EC50 6.47 6.47 340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endothelial PAS domain-containing protein 1 EC50 = 340.0 nM 6.47 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