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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	MRE 3008-F20
Molecular formula	C21H20N8O3
IUPAC name	1-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
Molecular weight	432.444
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.5
Synonyms	D0D8CV AKOS024457944 J1.251.181G N-[2-(2-Furanyl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-N'-(4-methoxyphenyl)urea ZINC602413 3-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-7-yl]-1-(4-methoxyphenyl)urea CHEMBL302765 MCP-NECA 5-[[(4-methoxyphenyl)amino]carbonyl]amino-8-propyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine GTPL459 MRE 3008F20 BDBM85618 KB-274663 NCGC00378820-01 [3H]MRE 3008F20 D0A6IO MolPort-023-277-046 GTPL477 MRE-3008F-20 252979-43-4 L000411 SCHEMBL958405 [ Show all ]
Inchi Key	CJRNHKSLHHWUAB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
PubChem CID	5310960
ChEMBL	CHEMBL302765
IUPHAR	477, 459
BindingDB	85618
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
43644	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
43645	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
43648	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
43649	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
43647	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
43646	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
43650	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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