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Compound Detail

CHEMBL321684

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CC(=O)N1CCC[C@H]1C#CC[N+](C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321684
Phase Preclinical
Structure Type MOL
InChI Key YMBOTRCLXUOKER-LBPRGKRZSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

209.3
MW (Da)
0.71
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H21N2O+
MW 209.31
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.05

Activity Summary

Ki 5 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 5.38 4.808 4150.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Ki = 4150.0 nM 5.38 Binding activity to the muscarinic acetylcholine receptor in rat cortex, assayed... 2258905
Muscarinic acetylcholine receptor Ki = 13900.0 nM 4.86 Binding activity to the muscarinic acetylcholine receptor in rat cortex, assayed... 2258905
Muscarinic acetylcholine receptor Ki = 16400.0 nM 4.79 Binding activity to muscarinic acetylcholine receptor in rat heart, assayed usin... 2258905
Muscarinic acetylcholine receptor Ki = 20900.0 nM 4.68 Binding activity against Muscarinic acetylcholine receptor in rat cortex, using ... 2258905
Muscarinic acetylcholine receptor Ki = 47100.0 nM 4.33 Binding activity to muscarinic acetylcholine receptor in rat heart, assayed usin... 2258905

Literature References

PubMed DOI Target Context # Activities
2258905 10.1021/jm00174a015 Muscarinic acetylcholine receptor 5
2258905 10.1021/jm00174a015 Muscarinic acetylcholine receptor M1 2
2258905 10.1021/jm00174a015 Muscarinic receptor M1 and M2 1
2258905 10.1021/jm00174a015 Muscarinic acetylcholine receptor M2 1

Data from ChEMBL 36 via Core Engine