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

CHEMBL1191560

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
CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191560
Phase Preclinical
Structure Type MOL
InChI Key OMADIDFKVYFXIO-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

339.5
MW (Da)
4.27
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29NO2
MW 339.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.52

Activity Summary

Ki 4 meas. best 7.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 7.56 7.56 27.3 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 6.78 6.78 166.0 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 6.61 6.61 243.0 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 6.61 6.61 243.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 27.3 nM 7.56 Displacement of [3H] N-methylscopolamine from muscarinic M4 receptor in guinea p... 23523385
Muscarinic acetylcholine receptor M1 Ki = 166.0 nM 6.78 Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expre... 23523385
Muscarinic acetylcholine receptor M3 Ki = 243.0 nM 6.61 Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expre... 23523385
Muscarinic acetylcholine receptor M2 Ki = 243.0 nM 6.61 Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expre... 23523385

Literature References

PubMed DOI Target Context # Activities
23523385 10.1016/j.bmc.2013.01.072 Unchecked 2
23523385 10.1016/j.bmc.2013.01.072 Muscarinic acetylcholine receptor M1 and M3 2
23523385 10.1016/j.bmc.2013.01.072 Muscarinic acetylcholine receptors; M1 & M2 1
23523385 10.1016/j.bmc.2013.01.072 Muscarinic acetylcholine receptor M3 1
23523385 10.1016/j.bmc.2013.01.072 Muscarinic acetylcholine receptor M2 1
23523385 10.1016/j.bmc.2013.01.072 Muscarinic acetylcholine receptor M1 1

Data from ChEMBL 36 via Core Engine