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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	Seltorexant
Molecular formula	C21H22FN7O
IUPAC name	[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
Molecular weight	407.453
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.8
Synonyms	SB19652 GTPL9308 Seltorexant [USAN] AKOS032954213 Methanone, (5-(4,6-dimethyl-2-pyrimidinyl)hexahydropyrrolo(3,4-C)pyrrol-2(1H)-yl)(2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)- [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone CHEMBL3597971 SCHEMBL1671257 1293281-49-8 JNJ-42847922 SQOCEMCKYDVLMM-UHFFFAOYSA-N BDBM118454 MIN-202 [5-(4,6-Dimethyl-pyrimidin-2-yl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-(2-fluoro-6-[1,2,3]triazol-2-yl-phenyl)-methanone ((3aR,6aS)-5-(4,6-dimethylpyrimidin- 2-yl)hexahydropyrrolo(3,4-c)pyrrol-2(1H)-yl)(2-fluoro- 6-(2H-1,2,3-triazol-2-yl)phenyl)methanone CS-0030510 JNJ-922 US8653263, 107 [ Show all ]
Inchi Key	SQOCEMCKYDVLMM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
PubChem CID	67116280
ChEMBL	CHEMBL3597971
IUPHAR	9308
BindingDB	118454
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
320817	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
554859	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
320816	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444
554860	Orexin receptor type 2	P56719	Hcrtr2	Rattus norvegicus (Rat)	460

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