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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-Allyltheophylline
Molecular formula	C10H12N4O2
IUPAC name	1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Molecular weight	220.232
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.3
Synonyms	AC1L2QUV CCG-18157 IDI1_002498 SR-01000457760 1,3-dimethyl-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione AN-988/14610002 ChemDiv2_003783 MolPort-001-800-377 STK868778 1,3-dimethyl-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione 7-Allyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione # BRN 0226015 EU-0074354 NSC521015 ZGIBYCLLIMGXEZ-UHFFFAOYSA-N 1H-Purine-2, 3,7-dihydro-1,3-dimethyl-7-(2-propenyl)- AC1Q3ZA3 LS-149397 SR-01000457760-1 1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione 61444-26-6 BAS 01547077 CTK2F3281 NC789Z71XR Theophylline, 7-allyl- 1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione 7-Allyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 7H-Purine-2,6(1H,3H)-dione, 7-allyl-1,3-dimethyl- Cambridge id 6249500 HMS1379L21 SCHEMBL316279 ZINC367972 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-propenyl)- AKOS000479977 CHEMBL24289 MCULE-7083701935 ST50253914 1,3-Dimethyl-7-allylxanthine 7-Allyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione BDBM50025582 D0RZ5U NSC-521015 UNII-NC789Z71XR 1,3-dimethyl-7-prop-2-enylpurine-2,6-dione 7-allyl-1,3-dimethylxanthine [ Show all ]
Inchi Key	ZGIBYCLLIMGXEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3
PubChem CID	101446
ChEMBL	CHEMBL24289
IUPHAR	N/A
BindingDB	50025582
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
427865	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
427866	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
427864	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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