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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	CHEMBL83855
Molecular formula	C12H9ClN4O3
IUPAC name	ethyl 8-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
Molecular weight	292.679
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.1
Synonyms	BYSUTBXNUZIDGV-UHFFFAOYSA-N ethyl 8-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate 8-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester 4-Oxo-8-chloro-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester SCHEMBL406481 BDBM50078524 [ Show all ]
Inchi Key	BYSUTBXNUZIDGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H9ClN4O3/c1-2-20-12(19)9-15-10-11(18)14-7-4-3-6(13)5-8(7)17(10)16-9/h3-5H,2H2,1H3,(H,14,18)
PubChem CID	44461607
ChEMBL	CHEMBL83855
IUPHAR	N/A
BindingDB	50078524
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
36057	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
36055	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
36056	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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