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

CHEMBL5283759

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
CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5283759
Phase Preclinical
Structure Type MOL
InChI Key OYXCACHCXKHEOC-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

1025.6
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C56H59ClF2N10O5
MW 1025.60

Activity Summary

Ki 5 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 8.48 8.48 3.3 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 8.39 8.39 4.1 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 8.17 8.17 6.8 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 Ki 8.01 8.01 9.7 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M4 Ki = 3.3 nM 8.48 Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expres... 36484801
Muscarinic acetylcholine receptor M1 Ki = 4.1 nM 8.39 Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expres... 36484801
Muscarinic acetylcholine receptor M3 Ki = 6.8 nM 8.17 Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expres... 36484801
Muscarinic acetylcholine receptor M5 Ki = 9.7 nM 8.01 Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expres... 36484801
Muscarinic acetylcholine receptor M2 Ki = 26.0 nM 7.58 Displacement of [3H]N-methylscopolamine from human muscarinic M2 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