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Compound Detail

CHEMBL101482

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

Basic Information

ChEMBL ID CHEMBL101482
Phase Preclinical
Structure Type MOL
InChI Key YECKJXMBYHNNQS-UHFFFAOYSA-M
Parent Compound CHEMBL1179820
Active Moiety CHEMBL1179820
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.4
MW (Da)
2.61
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H24ClNO2S
MW 269.84
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.68

Activity Summary

IC50 2 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine