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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	CHEMBL3113758
Molecular formula	C21H23F3N2O4
IUPAC name	6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
Molecular weight	424.42
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.7
Synonyms	BDBM50447798 SCHEMBL4539580 6-(2,6-dimethoxyphenyl)-4-methyl-1-(4-(trifluoromethoxy)benzyl)piperazin-2-one ALGWFSZKLHWWKG-UHFFFAOYSA-N
Inchi Key	ALGWFSZKLHWWKG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23F3N2O4/c1-25-12-16(20-17(28-2)5-4-6-18(20)29-3)26(19(27)13-25)11-14-7-9-15(10-8-14)30-21(22,23)24/h4-10,16H,11-13H2,1-3H3
PubChem CID	69084057
ChEMBL	CHEMBL3113758
IUPHAR	N/A
BindingDB	50447798
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
8260	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
8261	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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