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Compound Detail

CHEMBL73410

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CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C)CC1

Basic Information

ChEMBL ID CHEMBL73410
Phase Preclinical
Structure Type MOL
InChI Key APULGHONBSGSEC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
2.83
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O2S
MW 344.48
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.27

Activity Summary

Ki 2 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
Ki 7.47 7.47 34.0 1
Muscarinic acetylcholine receptor M1
CHEMBL216
Ki 7.02 7.02 96.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11055332 10.1016/s0960-894x(00)00438-8 Muscarinic acetylcholine receptor M1 1
11055332 10.1016/s0960-894x(00)00438-8 Muscarinic acetylcholine receptor M2 1
11055332 10.1016/s0960-894x(00)00438-8 Muscarinic acetylcholine receptors; M1 & M2 1

Data from ChEMBL 36 via Core Engine