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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-Dipropyl-8-phenylxanthine
Molecular formula	C17H20N4O2
IUPAC name	8-phenyl-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	312.373
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.0
Synonyms	8-Phenyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione AC1L2UFC CAS_128784 LS-126996 SCHEMBL661108 8-Phenyl-1,3-dipropyl-3,9-dihydro-purine-2,6-dione AKOS027320574 CHEMBL158507 NCGC00024614-02 Tocris-0486 1H-Purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl- BRD-K41853443-001-01-1 FT-0642015 PDSP2_000974 8-phenyl-1,3-dipropyl-1H-purine-2,6(3H,9H)-dione AC1Q6LCH CHEBI:107631 MolPort-023-275-889 SR-01000597618 8-phenyl-1,3-dipropyl-7H-purine-2,6-dione BDBM50227332 CLIGSMOZKDCDRZ-UHFFFAOYSA-N NSC_128784 ZINC3995438 3,7-Dihydro-1,3-dipropyl-8-phenyl-1H-purine-2,6,dione 85872-53-3 BRD-K41853443-001-02-9 HMS3266E16 SCHEMBL12648449 8-phenyl-1,3-dipropyl-3,9-dihydro-1h-purine-2,6-dione AKOS024458381 NCGC00024614-01 SR-01000597618-1 1H-Purine-2,6,dione, 3,7-dihydro-1,3-dipropyl-8-phenyl- 8-phenyl-1,3-dipropyl-9H-purine-2,6-dione BDBM82025 DB-056886 PDSP1_000990 [ Show all ]
Inchi Key	CLIGSMOZKDCDRZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
PubChem CID	128784
ChEMBL	CHEMBL158507
IUPHAR	N/A
BindingDB	82025
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	16982400000.0 nM	PMID2991519	ChEMBL
Kb	10.0 nM	PMID3346878	ChEMBL
Ki	2.75 nM	PMID2016719, Bioorg. Med. Chem. Lett., (1992) 2:10:1199	BindingDB,ChEMBL
Ki	2.8 nM	N/A	BindingDB
Ki	5.9 nM	PMID2724296	BindingDB,ChEMBL
Ki	10.0 nM	PMID8410976, PMID2754711, PMID14761205, PMID2724296, PMID8182711	BindingDB,ChEMBL
Ki	10.2 nM	PMID3010074, PMID2754711	BindingDB,ChEMBL
Ki	10.96 nM	PMID1542091	ChEMBL
Ki	11.0 nM	PMID1542091	BindingDB
Ki	13.0 nM	PMID2984420, PMID3806597, PMID3016270	BindingDB,ChEMBL

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