Compound Detail

CHEMBL1201994

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COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1201994
Phase	Preclinical
Structure Type	MOL
InChI Key	GOHNNHJUJHBHKL-UHFFFAOYSA-N
Parent Compound	CHEMBL262913
Active Moiety	CHEMBL262913

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1113.5

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C74H92N10O22
MW	1473.60

Activity Summary

Ki 4 meas. best 8.9

Kd 2 meas. best 7.32

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Muscarinic acetylcholine receptor M1 CHEMBL276	Ki	8.9	8.9	1.3	1
Muscarinic acetylcholine receptor M2 CHEMBL309	Ki	8.43	8.43	3.7	1
Unchecked CHEMBL612545	Ki	7.8	7.8	15.8	1
Muscarinic acetylcholine receptor M2 CHEMBL211	Kd	7.32	7.32	47.9	1
Muscarinic acetylcholine receptor M3 CHEMBL320	Ki	6.6	6.6	251.2	1
Muscarinic acetylcholine receptor M3 CHEMBL5498	Kd	5.69	5.69	2041.7	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Muscarinic acetylcholine receptor M1	Ki	=	1.259	nM	8.9	Tested for affinity constant against M1 muscarinic receptor in rat cortex using ...	7932564
Muscarinic acetylcholine receptor M2	Ki	=	3.715	nM	8.43	Tested for affinity constant against M2 muscarinic receptor rat heart using [3H]...	7932564
Unchecked	Ki	=	15.85	nM	7.8	Tested for affinity constant against M4 muscarinic receptor in NG 108-15 cell ho...	7932564
Muscarinic acetylcholine receptor M2	Kd	=	47.86	nM	7.32	Antagonistic activity against M2 muscarinic receptor in guinea pig left atrium d...	7932564
Muscarinic acetylcholine receptor M3	Ki	=	251.19	nM	6.6	Tested for affinity constant against M3 muscarinic receptor in rat submaxillary ...	7932564
Muscarinic acetylcholine receptor M3	Kd	=	2041.74	nM	5.69	Antagonistic activity against M3 muscarinic receptor in guinea pig left ileum de...	7932564

Literature References

PubMed	DOI	Target Context	# Activities
7932564	10.1021/jm00046a021	Muscarinic acetylcholine receptor M2	2
7932564	10.1021/jm00046a021	Muscarinic acetylcholine receptor M3	2
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

Data from ChEMBL 36 via Core Engine