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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	SCHEMBL16040151
Molecular formula	C23H19F4N5O
IUPAC name	(3-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,2R,4R)-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight	457.433
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.1
Synonyms	BDBM65032 US9475819, 279 (3-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,2R,4R)-2-((5-(trifluoromethyl)pyridin-2-yl)amino)-7-azabicyclo[2.2.1]heptan-7-yl)methanone BDCUQVJRZGYIDS-OLMNPRSZSA-N
Inchi Key	BDCUQVJRZGYIDS-OLMNPRSZSA-N
Inchi ID	InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(33)32-14-6-7-18(32)17(11-14)31-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2,(H,30,31)/t14-,17-,18+/m1/s1
PubChem CID	90411831
ChEMBL	N/A
IUPHAR	N/A
BindingDB	65032
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
557920	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
557921	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
557919	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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