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Compound Detail

CHEMBL5624457

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

Basic Information

ChEMBL ID CHEMBL5624457
Phase Preclinical
Structure Type MOL
InChI Key OMQZZOONLFUCMS-FSDSQADBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
0.07
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H10FNO3S
MW 219.24
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.89

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