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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	CHEMBL51192
Molecular formula	C19H20FN5O
IUPAC name	1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-3-ethylpent-1-yn-3-ol
Molecular weight	353.401
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.7
Synonyms	1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-3-ethyl-pent-1-yn-3-ol BDBM50095784 1-[8-(3-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]-3-ethyl-1-pentyne-3-ol
Inchi Key	NPLLJKJORHIIMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20FN5O/c1-4-19(26,5-2)10-9-14-22-16(21)15-18(23-14)25(3)17(24-15)12-7-6-8-13(20)11-12/h6-8,11,26H,4-5H2,1-3H3,(H2,21,22,23)
PubChem CID	10665761
ChEMBL	CHEMBL51192
IUPHAR	N/A
BindingDB	50095784
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
229058	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
229056	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
229057	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
229059	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
229060	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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