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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	CHEMBL403740
Molecular formula	C23H30F4N4O2
IUPAC name	1-[1-[(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidin-4-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular weight	470.513
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.4
Synonyms	BDBM50227871 1-(1-((8-acetyl-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)piperidin-4-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea
Inchi Key	UUIZLNSNFOSYKR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30F4N4O2/c1-14(32)31-20-2-3-21(31)9-15(8-20)13-30-6-4-18(5-7-30)28-22(33)29-19-11-16(23(25,26)27)10-17(24)12-19/h10-12,15,18,20-21H,2-9,13H2,1H3,(H2,28,29,33)
PubChem CID	44446457
ChEMBL	CHEMBL403740
IUPHAR	N/A
BindingDB	50227871
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
345853	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368
345854	C-X-C chemokine receptor type 3	O88410	Cxcr3	Mus musculus (Mouse)	367

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