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Compound Detail

CHEMBL154092

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CC(=O)N(C(C)C#CCN1CCCC1)S(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154092
Phase Preclinical
Structure Type MOL
InChI Key FQPGMIDYEWXHHV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
0.28
ALogP
4
HBA
0
HBD
57.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N2O3S
MW 272.37
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -0.78

Activity Summary

Kd 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL2094109
 Kd 5.51 5.51 3100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Kd = 3100.0 nM 5.51 Equilibrium dissociation constant muscarinic receptor complex, measured in guine... 3346873

Literature References

PubMed DOI Target Context # Activities
3346873 10.1021/jm00398a015 Muscarinic acetylcholine receptor 1
3346873 10.1021/jm00398a015 Mus musculus 1

Data from ChEMBL 36 via Core Engine