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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-(3-Chloropropyl)theophylline
Molecular formula	C10H13ClN4O2
IUPAC name	7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione
Molecular weight	256.69
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.4
Synonyms	1H-Purine-2,6-dione, 3,7-dihydro-7-(3-chloropropyl)-1,3-dimethyl- 7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione AC1L2Q01 EINECS 220-462-9 3,7-Dihydro-7-(3-chloropropyl)-1,3-dimethyl-1H-purine-2,6-dione 7-(3-Chloropropyl)-theophylline BDBM50113244 SCHEMBL10654215 (Chloro-3 propyl)-7 theophylline 7-(3-Chloro-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 7-(gamma-Chloropropyl)theophylline CTK4G0167 1H-Purine-2,6-dione,7-(3-chloropropyl)-3,7-dihydro-1,3-dimethyl- 7-(3-chloropropyl)-1,3-dimethylxanthine AC1Q6LEM LS-126662 Theophylline, 7-(3-chloropropyl)- (Chloro-3 propyl)-7 theophylline [French] 7-(3-chloropropyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione A15451 DTXSID90182066 2770-66-3 7-(3-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione ACM2770663 MORVOYPJRATMRS-UHFFFAOYSA-N 7-(3-chloro-propan-1-yl)-theophylline 7-(chloropropyl)-theophylline CHEMBL67323 [ Show all ]
Inchi Key	MORVOYPJRATMRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H13ClN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3
PubChem CID	76011
ChEMBL	CHEMBL67323
IUPHAR	N/A
BindingDB	50113244
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
210642	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
210641	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
210640	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
210643	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332

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