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Compound Detail

CHEMBL5630220

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CC1=C[C@@H]2[C@@](C)(C[C@@]2(Br)S(=O)(=O)F)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630220
Phase Preclinical
Structure Type MOL
InChI Key XXOFBTITQDCVJM-SZEHBUNVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.2
MW (Da)
1.57
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13BrFNO3S
MW 326.19
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.81

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