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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	MRS 1754
Molecular formula	C26H26N6O4
IUPAC name	N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
Molecular weight	486.532
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.9
Synonyms	M 6316 N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide NCGC00094075-02 [3H]MRS1754 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester A2B adenosine receptor antagonists, Adenosine/Ortho-McNeil ATL-GW-22 CHEMBL273807 GTPL453 NCGC00015689-01 SMR001230737 AKOS024457276 BDBM50086170 D0NE5P HMS3373J21 N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide NCGC00015689-04 ZINC4475274 A2B adenosine receptor antagonists (oral, asthma/diabetes), Adenosine Therapeutics ATL-618 CHEBI:93269 EX-3306 Lopac-M-6316 MLS002153324 N-(4-Cyanophenyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]-acetamide NCGC00094075-03 264622-58-4 AC1O7G54 ATL-GW-8 CTK8E7916 HMS2230A06 MRS-1754 NCGC00015689-02 SR-01000076213 AKOS027427086 BRD-K72024482-001-01-3 DTXSID80424967 J-016440 Lopac0_000729 N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754) NCGC00094075-01 [3H]-MRS1754 A2B adenosine receptor antagonists (oral, asthma/diabetes), Clinical Data ATL-844 GTPL449 MolPort-023-276-567 N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide SCHEMBL1222380 Acetamide,N-(4-cyanophenyl)-2-[4-(2,3,6,9-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]- B7173 D01QYQ HMS3268F13 MRS1754 NCGC00015689-03 SR-01000076213-1 8-[4-[((4-Cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine AOB5542 CCG-204814 EU-0100729 L000415 [ Show all ]
Inchi Key	AJBBEYXFRYFVNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
PubChem CID	6603931
ChEMBL	CHEMBL273807
IUPHAR	453, 449
BindingDB	50086170
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
6730	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
6734	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
6729	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
6736	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
6732	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
6733	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
6735	Adenosine receptor A2b	Q60614	Adora2b	Mus musculus (Mouse)	332
6731	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
6738	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
6737	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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