Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL343697

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL343697
Phase Preclinical
Structure Type MOL
InChI Key NVLQLYXINYEGFX-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

244.4
MW (Da)
2.48
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.69
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 C16H22NO+
MW 244.36
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.05

Activity Summary

Ki 8 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 5.96 5.865 1100.0 2
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 5.89 5.735 1300.0 2
Muscarinic acetylcholine receptor
CHEMBL2094109
 Ki 5.42 5.345 3800.0 2
Muscarinic acetylcholine receptor M3
CHEMBL5498
 Ki 5.24 5.18 5700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M1 Ki = 1100.0 nM 5.96 Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacem... 7853341
Muscarinic acetylcholine receptor M2 Ki = 1300.0 nM 5.89 Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacem... 7853341
Muscarinic acetylcholine receptor M1 Ki = 1700.0 nM 5.77 Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacem... 7853341
Muscarinic acetylcholine receptor M2 Ki = 2600.0 nM 5.58 Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacem... 7853341
Muscarinic acetylcholine receptor Ki = 3800.0 nM 5.42 Binding affinity for muscarinic acetylcholine receptor by measuring displacement... 7853341
Muscarinic acetylcholine receptor Ki = 5400.0 nM 5.27 Binding affinity for muscarinic acetylcholine receptor by measuring displacement... 7853341
Muscarinic acetylcholine receptor M3 Ki = 5700.0 nM 5.24 Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacem... 7853341
Muscarinic acetylcholine receptor M3 Ki = 7500.0 nM 5.12 Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacem... 7853341

Literature References

PubMed DOI Target Context # Activities
7853341 10.1021/jm00003a011 Muscarinic acetylcholine receptor 4
7853341 10.1021/jm00003a011 Muscarinic acetylcholine receptor M1 2
7853341 10.1021/jm00003a011 Muscarinic acetylcholine receptor M2 2
7853341 10.1021/jm00003a011 Muscarinic acetylcholine receptor M3 2

Data from ChEMBL 36 via Core Engine