Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL166115

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCOc1nscc1C1=CCCN(C)C1

Basic Information

ChEMBL ID CHEMBL166115
Phase Preclinical
Structure Type MOL
InChI Key FBKNMNSUKXGQCW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.82
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24N2OS
MW 280.44
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
IC50 6.15 6.15 715.0 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