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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	CHEMBL3674592
Molecular formula	C23H29N5O5
IUPAC name	(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[[(2S)-2-[(3-methylphenyl)methoxy]cyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight	455.515
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	2.3
Synonyms	SCHEMBL12192999 US8501708, 16 BDBM99196
Inchi Key	UAVGEMJRCCWMEI-UNYIAIFGSA-N
Inchi ID	InChI=1S/C23H29N5O5/c1-13-4-2-5-14(8-13)10-32-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
PubChem CID	58455977
ChEMBL	CHEMBL3674592
IUPHAR	N/A
BindingDB	99196
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
332230	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
544947	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
332231	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319

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