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Compound Detail

CHEMBL5630049

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CC1=CC(=O)N(C)[C@@H]2C[C@@H](S(=O)(=O)F)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630049
Phase Preclinical
Structure Type MOL
InChI Key XFFNLFCCEYRTDD-ZXFLCMHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
0.46
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12FNO3S
MW 233.26
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.66

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