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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Adenosine receptor A1
Species	Rattus norvegicus (Rat)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProt	P25099
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL318
IUPHAR	18
DrugBank	N/A

Ligand

Name	1,3-Diethyl-8-phenylxanthine
Molecular formula	C15H16N4O2
IUPAC name	1,3-diethyl-8-phenyl-7H-purine-2,6-dione
Molecular weight	284.319
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	CCG-204220 FT-0606658 NSC_1328 SR-01000075182 CTK5E2202 Lopac-A-003 PDSP1_000991 ZINC9229229 1H-Purine-2,6-dione,1,3-diethyl-3,9-dihydro-8-phenyl- AC1Q6LCB C-48797 DEPX NCGC00014999-02 PDSP2_000975 1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione 75922-48-4 GTPL445 PDSP1_000323 SR-01000075182-1 1,3-Dithyl-8-phenylxanthine AC1L1B8H AKOS027378654 D07HKU Lopac0_000125 PDSP2_000321 1,3-Diethyl-3,9-dihydro-8-phenyl-1H-purine-2,6-dione 2KCV39GKGL CAS_1328 EU-0100125 NCGC00093616-01 SCHEMBL1321894 1,3-diethyl-8-phenyl-7H-purine-2,6-dione 8-Phenyl-1,3-diethylxanthine CHEMBL11348 L001207 PDSP1_000326 UNII-2KCV39GKGL 1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro-8-phenyl- AC1Q312F BDBM81971 D0BD8N NCGC00014999-01 PDSP2_000324 1,3-Diethyl-8-phenyl-1H-purine-2,6(3H,7H)-dione [ Show all ]
Inchi Key	LVSWNSHUTPWCNF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)
PubChem CID	1328
ChEMBL	CHEMBL11348
IUPHAR	445
BindingDB	81971
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	32.0 nM	PMID3351850	BindingDB,ChEMBL
IC50	48.0 nM	PMID3351850	BindingDB,ChEMBL
IC50	2.29087e+11 nM	PMID2991519	ChEMBL
Ki	44.0 nM	PMID2795597	BindingDB,ChEMBL
Ki	44.5 nM	PMID3010074, PMID2754711	BindingDB,ChEMBL
Ki	45.0 nM	PMID2754711	BindingDB
Ki	61.0 nM	PMID2997628	BindingDB
Ki	65.0 nM	PMID3806597	BindingDB,ChEMBL
Ki	70.0 nM	PMID2825043	BindingDB
Ki	170.0 nM	PMID2825043	BindingDB
Ki	550.0 nM	PMID2825043	BindingDB

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