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Compound Detail

CHEMBL418022

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COc1noc2c1CSCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL418022
Phase Preclinical
Structure Type MOL
InChI Key IWPMWZYKPXJTOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

171.2
MW (Da)
1.47
ALogP
4
HBA
0
HBD
35.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9NO2S
MW 171.22
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
3385727 10.1021/jm00402a010 Muscarinic acetylcholine receptor M2 2
3385727 10.1021/jm00402a010 Cavia porcellus 2
3385727 10.1021/jm00402a010 Muscarinic acetylcholine receptor M1 1
3385727 10.1021/jm00402a010 Muscarinic acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine