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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	CHEMBL223321
Molecular formula	C23H27ClF3N11O
IUPAC name	5-N-[[(7R,9aR)-2-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Molecular weight	565.99
Hydrogen bond acceptor	13
Hydrogen bond donor	2
XlogP	2.9
Synonyms	(7RS,9aSR)-2-furan-2-yl-N5-(2-pyrimidin-2-yloctahydropyrido[1,2-a]pyrazin-7-ylmethyl)[1,2,4]triazolo[1,5-a]-[1,3,5]triazine-5,7-diamine BDBM50156639
Inchi Key	ANYPNSMNRSQVDF-ZIAGYGMSSA-N
Inchi ID	InChI=1S/C23H27ClF3N11O/c1-35-18(24)15(17(33-35)23(25,26)27)12-36-6-7-37-10-13(4-5-14(37)11-36)9-29-21-31-20(28)38-22(32-21)30-19(34-38)16-3-2-8-39-16/h2-3,8,13-14H,4-7,9-12H2,1H3,(H3,28,29,30,31,32,34)/t13-,14-/m1/s1
PubChem CID	44421281
ChEMBL	CHEMBL223321
IUPHAR	N/A
BindingDB	50156639
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
10015	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
10016	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410

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