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Compound Detail

CHEMBL407678

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CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL407678
Phase Preclinical
Structure Type MOL
InChI Key UDULQKDYBPGEMG-UHFFFAOYSA-N
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1152.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C64H73N13O8
MW 1152.37

Activity Summary

Ki 4 meas. best 8.6
Kd 2 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL309
 Ki 8.6 8.6 2.5 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Kd 8.36 8.36 4.4 1
Muscarinic acetylcholine receptor M1
CHEMBL276
 Ki 7.3 7.3 50.1 1
Muscarinic acetylcholine receptor M4
CHEMBL317
 Ki 6.8 6.8 158.5 1
Muscarinic acetylcholine receptor M3
CHEMBL5498
 Kd 6.26 6.26 549.5 1
Muscarinic acetylcholine receptor M3
CHEMBL320
 Ki 5.24 5.24 5754.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M2 Ki = 2.512 nM 8.6 Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2 9767650
Muscarinic acetylcholine receptor M2 Kd = 4.365 nM 8.36 Antagonist affinity evaluated against Muscarinic acetylcholine receptor M2 in is... 9767650
Muscarinic acetylcholine receptor M1 Ki = 50.12 nM 7.3 Binding affinity for rat cortex Muscarinic acetylcholine receptor M1 9767650
Muscarinic acetylcholine receptor M4 Ki = 158.49 nM 6.8 Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4 9767650
Muscarinic acetylcholine receptor M3 Kd = 549.54 nM 6.26 Antagonist affinity evaluated against Muscarinic acetylcholine receptor M3 in is... 9767650
Muscarinic acetylcholine receptor M3 Ki = 5754.4 nM 5.24 Inhibition of [3H]NMS binding to rat submaxillary gland Muscarinic acetylcholine... 9767650

Literature References

PubMed DOI Target Context # Activities
9767650 10.1021/jm981038d Muscarinic acetylcholine receptor M2 2
9767650 10.1021/jm981038d Muscarinic acetylcholine receptor M3 2
9767650 10.1021/jm981038d Muscarinic acetylcholine receptor M1 1
9767650 10.1021/jm981038d Muscarinic acetylcholine receptor M4 1

Data from ChEMBL 36 via Core Engine