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Compound Detail

CHEMBL5624757

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O=C1C=C[C@@H]2[C@@H](C[C@H]2S(=O)(=O)F)N1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5624757
Phase Preclinical
Structure Type MOL
InChI Key WXIIWPXIKYURIR-IJLUTSLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
1.65
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12FNO3S
MW 281.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.38

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