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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	PACPX
Molecular formula	C17H20ClN5O2
IUPAC name	8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	361.83
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.0
Synonyms	1H-Purine-2,6-dione, 8-(2-amino-4-chlorophenyl)-3,7-dihydro-1,3-dipropyl AC1Q3SH2 DTXSID90235182 PDSP2_000977 8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione C17H20ClN5O2 NSC_92411 SENJBFBVCXOUFE-UHFFFAOYSA-N 85872-51-1 CHEMBL273671 PDSP1_000993 8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione(PACPX) B-256 ET7OKC2MCY PDSP2_001120 8-(2-Amino-4-chlorophenyl)-1,3-dipropylxanthine CAS_92411 UNII-ET7OKC2MCY 1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine AC1L3O2G CTK5F5876 PDSP1_001136 8-(2-amino-4-chlorophenyl)-1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione BDBM82013 LS-177895 SCHEMBL4650748 PAPCX [ Show all ]
Inchi Key	SENJBFBVCXOUFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
PubChem CID	92411
ChEMBL	CHEMBL273671
IUPHAR	N/A
BindingDB	82013
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
312322	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
312323	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
312324	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
556721	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412

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