Compound Detail

CHEMBL265256

TRIPITRAMINE

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CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL265256
Name	TRIPITRAMINE
Phase	Preclinical
Structure Type	MOL
InChI Key	YUJOQEAGGUIMED-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1124.4

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C64H77N13O6
MW	1124.40

Activity Summary

Ki 21 meas. best 9.57

Kd 9 meas. best 9.75

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Muscarinic acetylcholine receptor M2 CHEMBL211	Kd	9.75	9.7167	0.2	3
Unchecked CHEMBL612545	Kd	9.65	8.05	0.2	3
Muscarinic acetylcholine receptor M2 CHEMBL211	Ki	9.57	9.545	0.3	2
Muscarinic acetylcholine receptor M2 CHEMBL309	Ki	9.54	9.5333	0.3	3
Muscarinic acetylcholine receptor M1 CHEMBL216	Ki	8.8	8.625	1.6	2
Muscarinic acetylcholine receptor M1 CHEMBL276	Ki	8.45	7.9033	3.5	3
Muscarinic acetylcholine receptor M4 CHEMBL1821	Ki	8.19	8.065	6.5	2
Muscarinic acetylcholine receptor M4 CHEMBL317	Ki	7.94	7.935	11.5	2
Unchecked CHEMBL612545	Ki	7.93	7.93	11.8	1
Muscarinic acetylcholine receptor M5 CHEMBL2035	Ki	7.47	7.47	33.9	1
Muscarinic acetylcholine receptor M3 CHEMBL245	Ki	7.42	7.125	38.0	2
Muscarinic acetylcholine receptor M3 CHEMBL320	Ki	6.83	6.4033	147.9	3
Muscarinic acetylcholine receptor M3 CHEMBL5498	Kd	6.55	6.55	281.8	3

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Muscarinic acetylcholine receptor M2	Kd	=	0.1778	nM	9.75	Antagonistic activity against M2 muscarinic receptor in guinea pig left atrium d...	7932564
Muscarinic acetylcholine receptor M2	Kd	=	0.1778	nM	9.75	Antagonistic activity measured in isolated guinea pig left atrium (M2 receptor)	8246244
Muscarinic acetylcholine receptor M2	Kd	=	0.2239	nM	9.65	Antagonist affinity evaluated against Muscarinic acetylcholine receptor M2 in is...	9767650
Unchecked	Kd	=	0.2239	nM	9.65	Antagonist activity at peripheral muscarinic M2 receptor in guinea pig left atri...	18595721
Muscarinic acetylcholine receptor M2	Ki	=	0.2692	nM	9.57	Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]...	11354386
Muscarinic acetylcholine receptor M2	Ki	=	0.2884	nM	9.54	Affinity constant measured against M2 muscarinic receptor in rat heart r	8246244
Muscarinic acetylcholine receptor M2	Ki	=	0.2884	nM	9.54	Tested for affinity constant against M2 muscarinic receptor rat heart using [3H]...	7932564
Muscarinic acetylcholine receptor M2	Ki	=	0.302	nM	9.52	Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2...	18595721
Muscarinic acetylcholine receptor M2	Ki	=	0.302	nM	9.52	Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2	9767650
Muscarinic acetylcholine receptor M1	Ki	=	1.585	nM	8.8	Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]...	11354386
Muscarinic acetylcholine receptor M1	Ki	=	3.548	nM	8.45	Binding affinity for rat cortex Muscarinic acetylcholine receptor M1	9767650
Muscarinic acetylcholine receptor M1	Ki	=	3.548	nM	8.45	Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1...	18595721
Muscarinic acetylcholine receptor M4	Ki	=	6.457	nM	8.19	Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]...	11354386
Unchecked	Kd	=	11.22	nM	7.95	Antagonist activity at peripheral muscarinic M4 receptor in rabbit vas deferens ...	18595721
Muscarinic acetylcholine receptor M4	Ki	=	11.48	nM	7.94	Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4	9767650
Muscarinic acetylcholine receptor M4	Ki	=	11.48	nM	7.94	Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4...	18595721
Muscarinic acetylcholine receptor M4	Ki	=	11.75	nM	7.93	Affinity constant measured against M4 muscarinic receptor rat NG108-15 cells	8246244
Unchecked	Ki	=	11.75	nM	7.93	Tested for affinity constant against M4 muscarinic receptor in NG 108-15 cell ho...	7932564
Muscarinic acetylcholine receptor M1	Ki	=	23.44	nM	7.63	Affinity constant measured against M1 muscarinic receptor in rat cortex	8246244
Muscarinic acetylcholine receptor M1	Ki	=	23.44	nM	7.63	Tested for affinity constant against M1 muscarinic receptor in rat cortex using ...	7932564

Literature References

PubMed	DOI	Target Context	# Activities
18595721	10.1016/j.bmc.2008.06.025	Unchecked	3
8246244	10.1021/jm00075a032	Muscarinic acetylcholine receptor M3	2
7932564	10.1021/jm00046a021	Muscarinic acetylcholine receptor M3	2
7932564	10.1021/jm00046a021	Muscarinic acetylcholine receptor M2	2
9767650	10.1021/jm981038d	Muscarinic acetylcholine receptor M3	2
9767650	10.1021/jm981038d	Muscarinic acetylcholine receptor M2	2
8246244	10.1021/jm00075a032	Muscarinic acetylcholine receptors; M2 & M3	2
8246244	10.1021/jm00075a032	Muscarinic acetylcholine receptor M2	2
8246244	10.1021/jm00075a032	Muscarinic acetylcholine receptor M2 and M4	1
8246244	10.1021/jm00075a032	Muscarinic acetylcholine receptors; M1 & M2	1
9767650	10.1021/jm981038d	Muscarinic acetylcholine receptor M1	1
9767650	10.1021/jm981038d	Muscarinic acetylcholine receptor M4	1
8246244	10.1021/jm00075a032	Muscarinic acetylcholine receptor M4	1
8246244	10.1021/jm00075a032	Muscarinic acetylcholine receptor M1	1
7932564	10.1021/jm00046a021	Muscarinic acetylcholine receptor M1	1
7932564	10.1021/jm00046a021	Unchecked	1
7932564	10.1021/jm00046a021	Muscarinic acetylcholine receptors; M2 & M3	1
11354386	10.1016/s0960-894x(01)00186-x	Muscarinic acetylcholine receptor M1	1
11354386	10.1016/s0960-894x(01)00186-x	Muscarinic acetylcholine receptor M2	1
11354386	10.1016/s0960-894x(01)00186-x	Muscarinic acetylcholine receptor M3	1

Data from ChEMBL 36 via Core Engine