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Compound Detail

CHEMBL5629983

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O=C1N[C@@H]2C[C@@H](S(=O)(=O)F)[C@@H]2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5629983
Phase Preclinical
Structure Type MOL
InChI Key CRKXBPDGLCDZEF-OPRDCNLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
0.95
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10FNO3S
MW 255.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.36

Literature References

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

Data from ChEMBL 36 via Core Engine