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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-propyltheophylline
Molecular formula	C10H14N4O2
IUPAC name	1,3-dimethyl-7-propylpurine-2,6-dione
Molecular weight	222.248
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.4
Synonyms	MCULE-1660387714 VU0407630-2 1,3-dimethyl-7-propyl-1,3,7-trihydropurine-2,6-dione 27760-74-3 BDBM50025583 CTK0J2419 SR-01000317962 1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione HGFWMGARSDHJFP-UHFFFAOYSA-N STK838961 1,3-dimethyl-7-propylxanthine AKOS000722155 MolPort-001-826-239 ZINC380547 1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione DTXSID20357200 SR-01000317962-1 1,3-Dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione AC1LI13K HMS1682I09 Theophylline, n-propyl derivative 1,3-dimethyl-7-n-propylxanthine 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-propyl- BAS 01547067 SCHEMBL8443037 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 7-Propyltheophyline CHEMBL26455 F3259-0260 ST50253912 1,3-dimethyl-7-propylpurine-2,6-dione AC1Q2XWG [ Show all ]
Inchi Key	HGFWMGARSDHJFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
PubChem CID	847168
ChEMBL	CHEMBL26455
IUPHAR	N/A
BindingDB	50025583
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
114048	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
114049	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
114050	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409

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