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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	CHEMBL3679377
Molecular formula	C22H26FN5O5
IUPAC name	(3R,4S,5R)-2-[6-[[(2S)-2-[(3-fluorophenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	459.478
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	2.0
Synonyms	SCHEMBL12193001 US8501708, 18 BDBM99198
Inchi Key	CYHRDMKKFSGMNK-XCUHZOMWSA-N
Inchi ID	InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1
PubChem CID	58455968
ChEMBL	CHEMBL3679377
IUPHAR	N/A
BindingDB	99198
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
53520	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
537312	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
53519	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319

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