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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	Flufylline
Molecular formula	C21H24FN5O3
IUPAC name	7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Molecular weight	413.453
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.5
Synonyms	1H-Purine-2,6-dione, 7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl- AC1L2FUB Flufilina [Spanish] O8G173034U UNII-O8G173034U 7-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)theophylline CAS_82190-91-8 Flufylline [INN] PMEYQPKJAPXGPS-UHFFFAOYSA-N DTXSID60231611 LS-149562 Sgd-19578 1H-Purine-2,6-dione,7-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-3,7-dihydro-1,3-dimethyl- AC1Q4NID Flufyllin PDSP1_000838 ZINC537738 7-(2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione # CHEMBL2106778 Flufyllinum SCHEMBL684324 1,3-Dimethylxanthine, 7-[4[2-(4-fluorobenzoyl)piperidin-1-yl]ethyl]- 82190-91-8 Flufilina NSC_71255 Theophylline, 7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)- 7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione BDBM81981 PDSP2_000825 7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione CTK5E9479 Flufyllinum [Latin] Sgd 195 78 [ Show all ]
Inchi Key	PMEYQPKJAPXGPS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3
PubChem CID	71255
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81981
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
556503	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
263179	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
263180	Alpha-2C adrenergic receptor	P22086	Adra2c	Rattus norvegicus (Rat)	458

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