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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.
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Ligand

Name	ETOFYLLINE
Molecular formula	C9H12N4O3
IUPAC name	7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Molecular weight	224.22
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	-1.2
Synonyms	NCGC00016479-04 Bio-phylline NCGC00022341-04 CAS-519-37-9 NWPRCRWQMGIBOT-UHFFFAOYSA-N CS-4837 Oxyphyllin (TN) DSSTox_RID_76839 1,3-Dimethyl-7-( beta-hydroxyethyl-xanthine Etofylline (INN) 3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione FT-0668429 7-(2-hydroxyethyl)-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione HMS500C14 7-(2-Hydroxyethyl)theophylline KBio2_003367 AB00052458 MCULE-9071053702 AKOS000121416 Prestwick2_000172 Soluphylline Spectrum_000319 Tox21_110447_1 BCBcMAP01_000126 NCGC00016479-07 BRN 0251760 NE11081 Oxphylline (amido) D0PB2W Etofilina 110298-EP2298305A1 Etofylline, European Pharmacopoeia (EP) Reference Standard HMS1568D05 7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione Hydroxyethyltheophylline 7-(beta-Hydroxyethyl)theophylline, solid KBioGR_000697 AC1Q3ZH6 MLS000115542 Oxyphylline SBB057458 SPECTRUM2300357 ST50409022 W-109548 NCGC00016479-02 beta-hydroxyethyltheophylline NCGC00016479-11 C9H12N4O3 NSC-113373 Cordalin Oxyethyltheophylline DSSTox_CID_3031 Etofillina [DCIT] 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl- (9CI) etophylline 7-(2'-Hydroxyethyl)theophylline HMS3370P21 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione KBio1_000052 7-Theophyllineethanol L164909TBI Aethophyllinum Prestwick0_000172 SMP1_000162 Spectrum4_000179 Theophylline, 7-(2-hydroxyethyl)- ZB002088 ANW-31370 NCGC00016479-05 BPBio1_000071 NCGC00178140-01 CCG-39731 Opera_ID_628 CTK8B1810 DTXSID5023031 1,3-Dimethyl-7-(2-hydroxyethyl)xanthine Etofylline 1.0 mg/ml in Methanol 3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione (9CI) GS-6113 7-(2-Hydroxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione HY-B1209 7-(beta-HYDROXYETHYL)-THEOPHYLLINE KBio2_005935 AC1L1CGR MFCD00055055 Prestwick3_000172 SPBio_001837 SR-01000000166 UNII-L164909TBI BDBM50025585 NCGC00016479-08 BSPBio_000063 NINDS_000052 CHEMBL699 Oxyaethyltheophyllin Dilaphyllin Etofilina [INN-Spanish] 1H-Purine-2, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl- Etofyllinum 519-37-9 HMS2095D05 7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione # IDI1_000052 7-(Hydroxyethyl)theophylline KBioSS_000799 AC1Q6LF3 MolPort-001-793-760 Oxytheonyl SCHEMBL149271 Spectrum2_001819 STK970528 WLN: T56 BN DN FNVNVJ B2Q F1 H1 NCGC00016479-03 BIDD:GT0586 NCGC00022341-03 Cambridge id 6649214 NSC113373 Corophyllin-N Oxyetophyllinum DSSTox_GSID_23031 1,3-Dimethyl-7-( beta-hydroxyethyl- xanthine 3,7-dihydro-7-(2-hydroxyethyl)- 1,3-dimethyl-1H-purine-2,6-dione Frekaphyllin 7-(2-Hydroxy-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione HMS3712D05 7-(2-Hydroxyethyl)-1,3-dimethylxanthine KBio2_000799 A828855 LS-149582 AJ-09675 Prestwick1_000172 SMR000058179 Spectrum5_001332 Tox21_110447 ZINC57358 Ascorphylline NCGC00016479-06 BRD-K83064458-001-05-7 NCGC00178140-02 CHEBI:94764 Oxphylline D07933 EINECS 208-269-8 110298-EP2292621A1 Etofylline [INN:BAN] 5-26-14-00038 (Beilstein Handbook Reference) HMS1383I04 7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione Hydroxyethyl theophylline 7-(beta-Hydroxyethyl)theophylline KBio3_002542 AC1Q3ZH5 MLS000069731 Prestwick_210 SPBio_001984 SR-01000000166-3 V0304 NCGC00016479-01 BETA-HYDROXYETHYL THEOPHYLLINE NCGC00016479-09 BSPBio_003322 NSC 113373 ChemDiv2_005108 Oxyaethyltheophyllin [German] DivK1c_000052 Etofillina 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl- Etofyllinum [INN-Latin] 7-(.beta.-Hydroxyethyl)theophylline HMS2235K09 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione IDI1_003823 7-hydroxyethyltheophylline KS-00000WEU ACMC-209kws Phyllocormin N Sklerodormal Spectrum3_001711 Theophylline Related Compound F, United States Pharmacopeia (USP) Reference Standard Z112207554 [ Show all ]
Inchi Key	NWPRCRWQMGIBOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
PubChem CID	1892
ChEMBL	CHEMBL699
IUPHAR	N/A
BindingDB	50025585
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
233890	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
233891	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
233892	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
556392	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
233889	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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