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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	SCHEMBL4540837
Molecular formula	C25H25FN2O3
IUPAC name	6-(2,6-dimethoxyphenyl)-1-[(2-fluoro-3-pyridin-2-ylphenyl)methyl]piperidin-2-one
Molecular weight	420.484
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.8
Synonyms	6-(2,6-dimethoxyphenyl)-1-(2-fluoro-3-(pyridin-2-yl)benzyl)piperidin-2-one US9242970, 37 AGDHLORZIGVLKC-UHFFFAOYSA-N CHEMBL3912462 BDBM202894
Inchi Key	AGDHLORZIGVLKC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H25FN2O3/c1-30-21-12-7-13-22(31-2)24(21)20-11-6-14-23(29)28(20)16-17-8-5-9-18(25(17)26)19-10-3-4-15-27-19/h3-5,7-10,12-13,15,20H,6,11,14,16H2,1-2H3
PubChem CID	69084725
ChEMBL	CHEMBL3912462
IUPHAR	N/A
BindingDB	202894
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
536056	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
536055	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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