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Compound Detail

CHEMBL5625068

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CN1C(=O)C=C[C@@H]2[C@H]1C[C@@]2(Br)S(=O)(=O)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5625068
Phase Preclinical
Structure Type MOL
InChI Key DZTGKFBXVIWIFA-ATRFCDNQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.1
MW (Da)
0.79
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9BrFNO3S
MW 298.13
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.90

Literature References

PubMed DOI Target Context # Activities
37224761 10.1016/j.ejmech.2023.115502 Acetylcholinesterase 1
37224761 10.1016/j.ejmech.2023.115502 Cholinesterase 1

Data from ChEMBL 36 via Core Engine