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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	CHEMBL253928
Molecular formula	C24H30F4N4O3
IUPAC name	ethyl 3-[[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]methyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
Molecular weight	498.523
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.4
Synonyms	3-{4-[3-(3-fluoro-5-trifluoromethyl-phenyl)-ureido]-piperidin-1-ylmethyl}-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid ethyl ester BDBM50227874
Inchi Key	VJFABTBDUNBUDS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H30F4N4O3/c1-2-35-23(34)32-20-3-4-21(32)10-15(9-20)14-31-7-5-18(6-8-31)29-22(33)30-19-12-16(24(26,27)28)11-17(25)13-19/h9,11-13,18,20-21H,2-8,10,14H2,1H3,(H2,29,30,33)
PubChem CID	44446438
ChEMBL	CHEMBL253928
IUPHAR	N/A
BindingDB	50227874
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
356463	C-X-C chemokine receptor type 3	O88410	Cxcr3	Mus musculus (Mouse)	367
356464	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368

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