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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	7-Benzyltheophylline
Molecular formula	C14H14N4O2
IUPAC name	7-benzyl-1,3-dimethylpurine-2,6-dione
Molecular weight	270.292
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.1
Synonyms	cid_95028 MCULE-5781295268 NSC14130 SR-01000313218 1,3-dimethyl-7-benzyl-1,3,7-trihydropurine-2,6-dione 7-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione # AC1Q3ZES BAS 01547064 F3259-0258 MolPort-001-819-980 Oprea1_328533 STK869067 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- (9CI) 7-benzyl-1,3-dimethylpurine-2,6-dione HMS3371J01 NSC 14130 SCHEMBL1944405 WXWQVDBZDNPNLZ-UHFFFAOYSA-N 7-benzyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione CTK4D7706 MLS000526521 Opera_ID_1805 SR-01000313218-1 1807-85-8 7-Benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione AC1Q6LEF BDBM50014251 HMS1775D20 N-Benzyl xanthine PDSP1_001151 Theophylline, 7-benzyl- 7-Benzyl-1,3-dimethylxanthine CHEMBL24759 LS-149420 NSC-14130 SMR000116995 ZINC328351 1,3-Dimethyl-7-(phenylmethyl)purine-2,6-dione 7-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione AC1L3TF6 DTXSID20170996 MLS004491694 Oprea1_094723 ST45000489 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- 7-Benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione( 7-benzyltheophylline) AKOS001200556 BRN 0305370 HMS2233N04 NCGC00245303-01 PDSP2_001135 VU0172344-3 7-benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 7-benzyltheophyllin [ Show all ]
Inchi Key	WXWQVDBZDNPNLZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4O2/c1-16-12-11(13(19)17(2)14(16)20)18(9-15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
PubChem CID	95028
ChEMBL	CHEMBL24759
IUPHAR	N/A
BindingDB	50014251
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
385055	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
385056	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
385058	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
385057	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
385059	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
510467	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
385060	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757

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