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Compound Detail

CHEMBL2111695

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CN(C)CC#C[C@H]1CCCN1C(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2111695
Phase Preclinical
Structure Type MOL
InChI Key HLUZMEYMWCEXTQ-LBPRGKRZSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

252.4
MW (Da)
1.95
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.67
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 C14H24N2O2
MW 252.36
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -0.63

Activity Summary

Ki 5 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 6.6 5.47 250.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Ki = 250.0 nM 6.6 Binding activity to the muscarinic acetylcholine receptor in rat cortex, assayed... 2258905
Muscarinic acetylcholine receptor Ki = 3200.0 nM 5.5 Binding activity against Muscarinic acetylcholine receptor in rat cortex, using ... 2258905
Muscarinic acetylcholine receptor Ki = 5160.0 nM 5.29 Binding activity to muscarinic acetylcholine receptor in rat heart, assayed usin... 2258905
Muscarinic acetylcholine receptor Ki = 5600.0 nM 5.25 Binding activity to the muscarinic acetylcholine receptor in rat cortex, assayed... 2258905
Muscarinic acetylcholine receptor Ki = 19600.0 nM 4.71 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