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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	CHEMBL124724
Molecular formula	C18H20N6
IUPAC name	7-butyl-4-(4-ethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Molecular weight	320.4
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	SCHEMBL6716500 5-Butyl-2-(4-ethyl-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine SCHEMBL6716508 BDBM50149121
Inchi Key	AETNYZOCDUAMMP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N6/c1-3-5-6-15-20-17-14(11-19-22-17)18-21-16(23-24(15)18)13-9-7-12(4-2)8-10-13/h7-11H,3-6H2,1-2H3,(H,19,22)
PubChem CID	135738634
ChEMBL	CHEMBL124724
IUPHAR	N/A
BindingDB	50149121
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
557391	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
557392	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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