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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	Theobromine, 1-propyl-
Molecular formula	C10H14N4O2
IUPAC name	3,7-dimethyl-1-propylpurine-2,6-dione
Molecular weight	222.248
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.8
Synonyms	3,7-dimethyl-1-propylpurine-2,6-dione 1-Propyltheobromin 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-propyl- 63906-63-8 DTXSID20213579 ZINC13284606 3,7-dimethyl-1-propyl-3,7-dihydro-1h-purine-2,6-dione BDBM50025566 NSC74791 1-n-Propyl-3,7-dimethylxanthine 4-26-00-02347 (Beilstein Handbook Reference) CHEMBL286680 Theobromine, n-propyl derivative 1-PROPYLTHEOBROMINE 3,7-dimethyl-1-propyl-1H-purine-2,6-(2H,6H)-dione AC1L3WHB LS-149387 3,7-Dimethyl-1-propyl-3,7-dihydro-purine-2,6-dione BRN 0023217 SCHEMBL315740 1-Propyl theobromine 1H-Purine-2, 3,7-dihydro-3,7-dimethyl-1-propyl- CTK5C0153 XJKSERUTELYNMR-UHFFFAOYSA-N 3,7-dimethyl-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione AC1Q6LFX NSC-74791 [ Show all ]
Inchi Key	XJKSERUTELYNMR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h6H,4-5H2,1-3H3
PubChem CID	96448
ChEMBL	CHEMBL286680
IUPHAR	N/A
BindingDB	50025566
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
393439	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
393440	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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