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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	CHEMBL67060
Molecular formula	C11H15ClN4O2
IUPAC name	7-(4-chlorobutyl)-1,3-dimethylpurine-2,6-dione
Molecular weight	270.717
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.8
Synonyms	BDBM50113246 CTK1E6871 7-(4-Chlorobutyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 59663-15-9 DTXSID40472489 7-(4-chlorobutyl)theophylline 1H-Purine-2,6-dione, 7-(4-chlorobutyl)-3,7-dihydro-1,3-dimethyl- 7-(4-Chloro-butyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione SCHEMBL10653255 [ Show all ]
Inchi Key	KQPGPPWKOYOFAY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H15ClN4O2/c1-14-9-8(10(17)15(2)11(14)18)16(7-13-9)6-4-3-5-12/h7H,3-6H2,1-2H3
PubChem CID	11780616
ChEMBL	CHEMBL67060
IUPHAR	N/A
BindingDB	50113246
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
175788	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
175785	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
175786	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
175787	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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