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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	Allyltheobromine
Molecular formula	C10H12N4O2
IUPAC name	3,7-dimethyl-1-prop-2-enylpurine-2,6-dione
Molecular weight	220.232
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.6
Synonyms	NSC-40882 1-Allyltheobromine 4JG7O04XYX BDBM50025568 CTK4F5434 STL378446 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propen-1-yl)- AC1Q6LF9 MCULE-9142254572 WLN: T56 BN DN FNVNVJ B1 F1 H1U2 3,7-dimethyl-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione NSC40882 1H-Purine-2, 3,7-dihydro-3,7-dimethyl-1-(2-propenyl)- D0K1UA Theobromine, 1-allyl- 2530-99-6 AKOS002340304 MolPort-001-981-271 ZINC349954 1-Allyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione 3,7-dimethyl-1-prop-2-enylpurine-2,6-dione BAS 02549760 SCHEMBL8435386 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propenyl)- (9CI) AC1L5YRZ CHEMBL25427 HMS1586E14 UNII-4JG7O04XYX 3,7-dimethyl-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione Allyltheobromin [ Show all ]
Inchi Key	BTFHIKZOEZREBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4,6H,1,5H2,2-3H3
PubChem CID	237430
ChEMBL	CHEMBL25427
IUPHAR	N/A
BindingDB	50025568
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
32277	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
32278	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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