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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	CHEMBL1834695
Molecular formula	C22H17F3N8O2
IUPAC name	1-(4-methoxyphenyl)-3-[11-methyl-4-[4-(trifluoromethyl)phenyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea
Molecular weight	482.427
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.5
Synonyms	BDBM50355154
Inchi Key	AOWMFZKPFZJQQU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34)
PubChem CID	56675199
ChEMBL	CHEMBL1834695
IUPHAR	N/A
BindingDB	50355154
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
10642	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
10643	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
10644	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
442125	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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