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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	CHEMBL211713
Molecular formula	C22H14N6O4
IUPAC name	N-[2-(4-nitrophenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
Molecular weight	426.392
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	BDBM50189804 4-benzamido-1,2-dihydro-2-(4-nitrophenyl)-1,2,4-triazolo[4,3-a]quinoxalin-1-one
Inchi Key	DCUXOYAEGKLSEN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H14N6O4/c29-21(14-6-2-1-3-7-14)24-19-20-25-27(15-10-12-16(13-11-15)28(31)32)22(30)26(20)18-9-5-4-8-17(18)23-19/h1-13H,(H,23,24,29)
PubChem CID	11531978
ChEMBL	CHEMBL211713
IUPHAR	N/A
BindingDB	50189804
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
56753	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
56754	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
56752	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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