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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Rattus norvegicus (Rat)
Gene	Chrm1
Synonym	cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS cholinergic receptor M1 muscarinic acetylcholine receptor M1 receptor M1R Chrm-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P08482
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL276
IUPHAR	13
DrugBank	N/A

Ligand

Name	McN-A-343
Molecular formula	C14H18Cl2N2O2
IUPAC name	4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium;chloride
Molecular weight	317.21
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	None
Synonyms	55-45-8 Butyl-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-, chloride DTXSID80203532 MCN A-343 NCGC00260962-01 2-Butyn-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-, chloride 4-(N-[3-CHLOROPHENYL]-CARBAMOYLOXY)-2-BUTYNYLTRIMETHYLAMMONIUM CHLORIDE AC1Q1S2A CCG-221581 HMS2235M19 SR-01000075310 4-[[[(3-Chlorophenyl)amino]carbonyl]oxy]-N,N,N-trimethyl-2-butyn-1-aminium chloride API0006795 CW55R761RE LP00277 MolPort-006-822-477 UNII-CW55R761RE (4-Hydroxy-2-butynyl)-1-trimethylammonium-m-chlorocarbanilate chloride A 343 C 7041 EU-0100277 MCN A-343 chloride SCHEMBL2977744 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium chloride AKOS024456563 HMS3260H16 MFCD00055068 SR-01000075310-1 (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride 4-{[(3-chlorophenyl)carbamoyl]oxy}-n,n,n-trimethylbut-2-yn-1-aminium chloride B6715 D02BOW LS-18194 NCGC00093733-01 AC1L1LFI Carbanilic acid, m-chloro-, ester with (4-hydroxy-2-butynyl)trimethylammonium chloride GTPL290 McN-A 343 SMR000058673 4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride 4-[N-(3-Chlorophenyl)carbamoyloxy]-2--butynyl-trimethyl-ammonium chloride Ammonium, (4-hydroxy-2-butynyl)trimethyl-, chloride, m-chlorocarbanilate CHEMBL74300 HMS3372P11 MLS000859939 Tox21_500277 (4-Hydroxy-2-butynyl)-1-trimethyl-ammonium-3-chloro-carbanilate chloride [ Show all ]
Inchi Key	CXFZFEJJLNLOTA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H17ClN2O2.ClH/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13;/h6-8,11H,9-10H2,1-3H3;1H
PubChem CID	5926
ChEMBL	CHEMBL74300
IUPHAR	290
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	3900.0 nM	PMID7990109	ChEMBL
IC50	355.0 nM	PMID7658434, PMID1613751	ChEMBL
IC50	955.0 nM	PMID7658434, PMID1613751, Bioorg. Med. Chem. Lett., (1992) 2:8:809	ChEMBL
Ki	600.0 nM	PMID7990109	ChEMBL
Ki	7943.28 nM	PMID2537406	IUPHAR

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