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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Muscarinic acetylcholine receptor M5
Species	Homo sapiens (Human)
Gene	CHRM5
Synonym	M5R M5 receptor cholinergic receptor cholinergic receptor, muscarinic 5
Disease	Urinary incontinence Colitis Dysmenorrhea Irritable bowel syndrome Myasthenia gravis Neurological disease Schizophrenia Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Allergic rhinitis Central and peripheral nervous diseases Brain diseases Amnesia [ Show all ]
Length	532
Amino acid sequence	MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPVLQVVYKSQGKESPGEEFSAEETEETFVKAETEKSDYDTPNYLLSPAAAHRPKSQKCVAYKFRLVVKADGNQETNNGCHKVKIMPCPFPVAKEPSTKGLNPNPSHQMTKRKRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRWKKKKVEEKLYWQGNSKLP
UniProt	P08912
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T79961
ChEMBL	CHEMBL2035
IUPHAR	17
DrugBank	BE0000247, BE0004890

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
Increase	24.0 %	Bioorg. Med. Chem. Lett., (1992) 2:8:839	ChEMBL
Increase	34.0 %	Bioorg. Med. Chem. Lett., (1992) 2:8:839	ChEMBL
Ki	3801.89 nM	PMID19896386, PMID24980056	ChEMBL
Ki	12589.3 nM	PMID7620715	IUPHAR

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