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Compound Detail

CHEMBL5267836

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CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(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 CHEMBL5267836
Phase Preclinical
Structure Type MOL
InChI Key ONOZLVJQXQZLPL-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

1039.6
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C57H61ClF2N10O5
MW 1039.63

Activity Summary

Ki 5 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 8.7 8.7 2.0 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 8.42 8.42 3.8 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 8.01 8.01 9.8 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 Ki 7.96 7.96 11.0 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M1 Ki = 2.0 nM 8.7 Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expres... 36484801
Muscarinic acetylcholine receptor M4 Ki = 3.8 nM 8.42 Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expres... 36484801
Muscarinic acetylcholine receptor M2 Ki = 9.8 nM 8.01 Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expres... 36484801
Muscarinic acetylcholine receptor M5 Ki = 11.0 nM 7.96 Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expres... 36484801
Muscarinic acetylcholine receptor M3 Ki = 12.0 nM 7.92 Displacement of [3H]N-methylscopolamine from human muscarinic M3 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