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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	CHEMBL220386
Molecular formula	C21H21FN6O5
IUPAC name	(2S,3S,4R,5R)-N-ethyl-5-[2-[2-(4-fluorophenyl)ethynyl]-6-(methoxyamino)purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	456.434
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	1.3
Synonyms	2-[(4-fuorophenyl)ethynyl]-N6-methoxy-5''-N-ethylcarboxamidoadenosine BDBM50205720
Inchi Key	AHXLSRFNPIOZKZ-GRXQJBFDSA-N
Inchi ID	InChI=1S/C21H21FN6O5/c1-3-23-20(31)17-15(29)16(30)21(33-17)28-10-24-14-18(27-32-2)25-13(26-19(14)28)9-6-11-4-7-12(22)8-5-11/h4-5,7-8,10,15-17,21,29-30H,3H2,1-2H3,(H,23,31)(H,25,26,27)/t15-,16+,17-,21+/m0/s1
PubChem CID	16115750
ChEMBL	CHEMBL220386
IUPHAR	N/A
BindingDB	50205720
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
5958	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
5957	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
441922	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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