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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	ENPROFYLLINE
Molecular formula	C8H10N4O2
IUPAC name	3-propyl-7H-purine-2,6-dione
Molecular weight	194.194
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.3
Synonyms	CAS-41078-02-8 D04006 DTXSID9045186 Enprofyllinum [INN-Latin] Lopac-P-5679 NCGC00015824-02 NCGC00022716-03 1H-Purine-2,6-dione, 3,7-dihydro-3-propyl- PDSP1_001202 3-propyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione SR-01000000173-2 AJ-22159 DB00824 Enprofilina [INN-Spanish] HMS2234D09 LS-127057 NCGC00015824-05 NCGC00261595-01 3-n-Propylxanthine SCHEMBL156402 3-Propyl-3,7-dihydro-purine-2,6-dione(enprofylline) UNII-DT7DT5E518 ZB013298 BCP14343 D 4028 DSSTox_RID_80733 Enprofylline [USAN:INN] KB-50533 MolPort-020-915-589 NCGC00015824-08 P 5679 3-Propyl-1H-purine-2,6(3H,9H)-dione SMR000058496 3-Propylxanthine (enprofylline) CCG-204992 D09AMZ EINECS 255-201-8 EU-0100910 Lopac0_000910 NCGC00015824-03 NCGC00022716-04 1H-Purine-2,6-dione,3,9-dihydro-3-propyl- PDSP2_001003 3-propyl-3,7-dihydro-1H-purine-2,6-dione Tox21_110232 AC1L1BZI AKOS006271777 CHEMBL279898 DSSTox_CID_25186 HMS3262F22 MFCD00043205 NCGC00015824-06 Nilyph 3-propyl-1,9-dihydropurine-2,6-dione SCHEMBL18029491 3-propyl-7H-purine-2,6-dione VA10810 ZINC403567 BDBM50001493 D-4028 DT7DT5E518 Enprofyllinum L000242 NCGC00015824-01 NCGC00015824-09 PDSP1_001019 3-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SR-01000000173 41078-02-8 CHEBI:126237 Enprofilina FT-0630617 LP00910 NCGC00015824-04 NCGC00022716-05 3,7-Dihydro-3-propyl-1H-purine-2,6-dione PDSP2_001186 3-Propyl-3,7-dihydro-purine-2,6-dione Tox21_500910 AC1Q6LGE AKOS013464325 CTK4I4231 DSSTox_GSID_45186 Enprofylline (USAN/INN) HMS3369J09 MLS000069700 NCGC00015824-07 Oxeze 3-Propyl-1H-purine-2,6(3H,7H)-dione SIQPXVQCUCHWDI-UHFFFAOYSA-N 3-Propylxanthine Z1945707486 [ Show all ]
Inchi Key	SIQPXVQCUCHWDI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
PubChem CID	1676
ChEMBL	CHEMBL279898
IUPHAR	N/A
BindingDB	50001493
DrugBank	DB00824
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kb	32000.0 nM	PMID12139454	ChEMBL
Ki	<10000.0 nM	PMID3010074, PMID2997628	BindingDB
Ki	32000.0 nM	PMID8230124	BindingDB,ChEMBL
Ki	55000.0 nM	PMID2213834	BindingDB,ChEMBL
Ki	81000.0 nM	PMID2724296	BindingDB,ChEMBL
Ki	156000.0 nM	PMID19569717	BindingDB,ChEMBL

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