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Compound Detail

CHEMBL355465

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CCCCOc1cscc1C1=CCCN(C)C1

Basic Information

ChEMBL ID CHEMBL355465
Phase Preclinical
Structure Type MOL
InChI Key RNDWDAPMGUAANZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

251.4
MW (Da)
3.65
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.74
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 C14H21NOS
MW 251.39
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.20

Activity Summary

IC50 2 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
IC50 6.43 6.43 369.0 1
Muscarinic acetylcholine receptor
CHEMBL1907609
IC50 6.32 6.32 477.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80536-3 Muscarinic acetylcholine receptor 1
- 10.1016/S0960-894X(00)80536-3 Muscarinic acetylcholine receptor M1 1
- 10.1016/S0960-894X(00)80536-3 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine