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Compound Detail

CHEMBL5419628

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CS(=O)(=O)c1sc(-c2cc(F)cc(F)c2)c2c1[C@@H](O)C(F)(F)C2

Basic Information

ChEMBL ID CHEMBL5419628
Phase Preclinical
Structure Type MOL
InChI Key UWHUYKGCGHNLEP-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.32
ALogP
4
HBA
1
HBD
54.4
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 C14H10F4O3S2
MW 366.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37403966 10.1021/acs.jmedchem.3c00332 Endothelial PAS domain-containing protein 1 1

Data from ChEMBL 36 via Core Engine