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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	SMR000016478
Molecular formula	C22H30N6O4
IUPAC name	8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Molecular weight	442.52
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.4
Synonyms	8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-dimethyl-xanthine AB00431541-09 MCULE-6242494629 8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione BDBM30972 SCHEMBL17207522 3SR 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione F0634-0667 STK847587 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione AC1NKUBG MLS000101916 8-{[4-(2-furylcarbonyl)piperazino]methyl}-7-isopentyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione CHEMBL1469703 8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 851941-94-1 HMS2249J06 ZINC20533290 8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione AKOS001836619 MolPort-002-644-698 8-{[4-(2-furylcarbonyl)piperazinyl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-1,3, 7-trihydropurine-2,6-dione cid_4894361 ST51073019 [ Show all ]
Inchi Key	AGUUKKXWABRVBZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H30N6O4/c1-15(2)7-8-28-17(23-19-18(28)21(30)25(4)22(31)24(19)3)14-26-9-11-27(12-10-26)20(29)16-6-5-13-32-16/h5-6,13,15H,7-12,14H2,1-4H3
PubChem CID	4894361
ChEMBL	N/A
IUPHAR	N/A
BindingDB	30972
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
5230	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422

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