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Compound Detail

CHEMBL5630674

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O=C1c2ccccc2[C@@H]2[C@@H](C[C@H]2S(=O)(=O)F)N1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630674
Phase Preclinical
Structure Type MOL
InChI Key AMUSOMCKKIGELD-BZUAXINKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
2.87
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14FNO3S
MW 331.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.35

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