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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	CHEMBL337503
Molecular formula	C30H31N2O5S+
IUPAC name	ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-6-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenylpyridin-1-ium-3-carboxylate
Molecular weight	531.647
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.4
Synonyms	4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-3-ethoxycarbonyl-6-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridinium; iodide CHEMBL1184182 1-Methyl-2-ethyl-4-[2-(1,3-dihydro-1,3-dioxo-2H-isoindole-2-yl)ethyl]-3-[(ethylthio)carbonyl]-5-(ethoxycarbonyl)-6-phenylpyridinium BDBM50081670
Inchi Key	ALFKNYIWXLVKFC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H31N2O5S/c1-5-23-24(30(36)38-7-3)22(17-18-32-27(33)20-15-11-12-16-21(20)28(32)34)25(29(35)37-6-2)26(31(23)4)19-13-9-8-10-14-19/h8-16H,5-7,17-18H2,1-4H3/q+1
PubChem CID	10722997
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50081670
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
8223	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
8222	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
8224	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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