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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	UNII-JO67EL43YO
Molecular formula	C14H18ClN2O2+
IUPAC name	4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium
Molecular weight	281.76
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.7
Synonyms	CHEMBL40554 NCGC00015261-01 (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium 4-[N-(3-chlorophenyl)carbamoyloxy]-2-butynyltrimethylammonium chloride JO67EL43YO NCGC00015261-04 [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride (McN-A-343) (McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride AC1L1H8K CCG-204372 LS-187102 NCGC00163255-01 4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium CHEMBL74300 NCGC00015261-02 ZINC2041362 (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium cation Ammonium, (4-hydroxy-2-butynyl)trimethyl-, m-chlorocarbanilate (ester) Lopac-C-7041 NCGC00162115-01 4-((3-chlorophenyl)carbamoyloxy)-N,N,N-trimethylbut-2-yn-1-aminium chloride N,N,N-Trimethyl-4-[N-(3-chlorophenyl)aminocarbonyloxy]-2-butyn-1-aminium Pyrrolidinium, 1-((3S)-3-cycloh2-butyn-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl- 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium DTXSID70226997 NCGC00015261-03 [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium ion 7614-29-1 BDBM50006584 Lopac0_000277 NCGC00162115-02 4-(3-chlorophenylcarbamoyloxy)-N,N,N-trimethylbut-2-yn-1-aminium [ Show all ]
Inchi Key	DDKOMKXCUXCQBS-UHFFFAOYSA-O
Inchi ID	InChI=1S/C14H17ClN2O2/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/p+1
PubChem CID	4022
ChEMBL	CHEMBL40554
IUPHAR	N/A
BindingDB	50006584
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
57147	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
57151	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
57150	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
57152	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
57154	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589
57155	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
57148	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
57153	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532
57149	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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