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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	Rolofylline
Molecular formula	C20H28N4O2
IUPAC name	1,3-dipropyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
Molecular weight	356.47
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.9
Synonyms	LS-126967 SCHEMBL720438 136199-02-5 8-(Noradamantan-3-yl)-1,3-dipropylxanthine CHEMBL52333 MolPort-023-277-084 AKOS024458012 GTPL5604 SCHEMBL13448940 1,3-Dipropyl-8-(3-noradamantyl)xanthine 8-(hexahydro-2,5-methanopentalen-3a(1h)-yl)-1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione BRD-A95683721-001-01-2 KW-3902 MK-7418 1H-Purine-2,6-dione, 8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl- AC1L21M5 D08989 8-(3-Noradamantyl)-1,3-dipropylxanthine API0006386 HMR-4902 SCHEMBL18029490 1,3-Dnax 8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione L001406 MolPort-006-170-076 AC1Q6LCF D0X0IY Rolofylline (USAN) 8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione BDBM50003019 KW 3902 [ Show all ]
Inchi Key	PJBFVWGQFLYWCB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
PubChem CID	64627
ChEMBL	CHEMBL52333
IUPHAR	5604
BindingDB	50003019
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
260976	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
260977	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
260979	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
260981	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
260983	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
260980	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
260982	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
260985	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
554573	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
554574	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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