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Compound Detail

CHEMBL2092932

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CC(=O)N(C)[C@@H](C)C#CCN1CCCC1

Basic Information

ChEMBL ID CHEMBL2092932
Phase Preclinical
Structure Type MOL
InChI Key VHYUYQHTMPWAPK-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
0.95
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N2O
MW 208.30
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness -0.64

Activity Summary

Kd 1 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL2094109
Kd 5.49 5.49 3230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2258904 10.1021/jm00174a014 Muscarinic acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine