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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	CHEMBL254537
Molecular formula	C26H34F4N4O2
IUPAC name	1-[1-[[8-(2,2-dimethylpropanoyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]methyl]piperidin-4-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular weight	510.578
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.0
Synonyms	BDBM50227865 1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((8-pivaloyl-8-aza-bicyclo[3.2.1]oct-2-en-3-yl)methyl)piperidin-4-yl)urea
Inchi Key	CDCZLRGESVEODJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H34F4N4O2/c1-25(2,3)23(35)34-21-4-5-22(34)11-16(10-21)15-33-8-6-19(7-9-33)31-24(36)32-20-13-17(26(28,29)30)12-18(27)14-20/h10,12-14,19,21-22H,4-9,11,15H2,1-3H3,(H2,31,32,36)
PubChem CID	44446445
ChEMBL	CHEMBL254537
IUPHAR	N/A
BindingDB	50227865
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
39166	C-X-C chemokine receptor type 3	O88410	Cxcr3	Mus musculus (Mouse)	367
39167	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368

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