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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	CHEMBL48153
Molecular formula	C20H20FN5O
IUPAC name	1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight	365.412
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.6
Synonyms	1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol SCHEMBL5973425 1-[[8-(3-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol BDBM50095793 PSJFQTPTZIHBKW-UHFFFAOYSA-N 1-{2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclohexanol [ Show all ]
Inchi Key	PSJFQTPTZIHBKW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20FN5O/c1-26-18(13-6-5-7-14(21)12-13)25-16-17(22)23-15(24-19(16)26)8-11-20(27)9-3-2-4-10-20/h5-7,12,27H,2-4,9-10H2,1H3,(H2,22,23,24)
PubChem CID	9842054
ChEMBL	CHEMBL48153
IUPHAR	N/A
BindingDB	50095793
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
267649	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
267647	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
267646	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
267648	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
267645	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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