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

CHEMBL5289083

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
CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289083
Phase Preclinical
Structure Type MOL
InChI Key POIIDLJXIAHDFT-UHFFFAOYSA-O
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

1002.8
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C60H76ClF2N6O3+
MW 1002.76

Activity Summary

Ki 5 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 8.77 8.77 1.7 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 8.72 8.72 1.9 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 8.11 8.11 7.7 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 8.0 8.0 9.9 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 Ki 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M4 Ki = 1.7 nM 8.77 Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expres... 36484801
Muscarinic acetylcholine receptor M1 Ki = 1.9 nM 8.72 Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expres... 36484801
Muscarinic acetylcholine receptor M3 Ki = 7.7 nM 8.11 Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expres... 36484801
Muscarinic acetylcholine receptor M2 Ki = 9.9 nM 8.0 Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expres... 36484801
Muscarinic acetylcholine receptor M5 Ki = 18.0 nM 7.75 Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expres... 36484801

Literature References

PubMed DOI Target Context # Activities
36484801 10.1021/acs.jmedchem.2c01376 Unchecked 2
36484801 10.1021/acs.jmedchem.2c01376 Muscarinic acetylcholine receptor M1 1
36484801 10.1021/acs.jmedchem.2c01376 Muscarinic acetylcholine receptor M2 1
36484801 10.1021/acs.jmedchem.2c01376 Muscarinic acetylcholine receptor M3 1
36484801 10.1021/acs.jmedchem.2c01376 Muscarinic acetylcholine receptor M4 1
36484801 10.1021/acs.jmedchem.2c01376 Muscarinic acetylcholine receptor M5 1
36484801 10.1021/acs.jmedchem.2c01376 Muscarinic acetylcholine receptor M1 and M3 1
36484801 10.1021/acs.jmedchem.2c01376 Muscarinic acetylcholine receptors; M2 & M3 1

Data from ChEMBL 36 via Core Engine