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Compound Detail

CHEMBL104891

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CCCSC(=O)OCC[N+](C)(C)C.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL104891
Phase Preclinical
Structure Type MOL
InChI Key HEXJAPNDNKGMSY-UHFFFAOYSA-M
Parent Compound CHEMBL1179924
Active Moiety CHEMBL1179924
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
1.97
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H20ClNO2S
MW 241.78
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
9301662 10.1021/jm970141k Acetylcholinesterase 3

Data from ChEMBL 36 via Core Engine