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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	CHEMBL3663429
Molecular formula	C22H22FN5O2
IUPAC name	[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight	407.449
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.8
Synonyms	BDBM163994 SCHEMBL16042175 US9062078, 125
Inchi Key	ARROVLDPBPBLQE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22FN5O2/c1-14-3-2-4-18(21(14)28-25-9-10-26-28)22(29)27-17-6-7-19(27)15(11-17)13-30-20-8-5-16(23)12-24-20/h2-5,8-10,12,15,17,19H,6-7,11,13H2,1H3
PubChem CID	90413422
ChEMBL	CHEMBL3663429
IUPHAR	N/A
BindingDB	163994
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
464410	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
517385	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
464409	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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