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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	SHA-68
Molecular formula	C26H24FN3O3
IUPAC name	N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
Molecular weight	445.494
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.7
Synonyms	N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide BCP17377 CHEMBL469695 SCHEMBL2856311 KB-275296 SHA68 847555-75-3 BDBM50443391 N-[(4-fluorophenyl)methyl]-3-oxo-1,1-di(phenyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[4,3-c]pyrazine-7-carboxamide D03EJP SHA 68 MolPort-035-765-747 AKOS024458196 N-[(4-Fluorophenyl)methyl]tetrahydro-3-oxo-1,1-diphenyl-3H-oxazolo[3,4-a]pyrazine-7(1H)-carboxamide GTPL5813 847553-89-3 [ Show all ]
Inchi Key	SFRQIPRTNYHJHP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
PubChem CID	11374217
ChEMBL	CHEMBL469695
IUPHAR	5813
BindingDB	50443391
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
313170	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
313171	Neuropeptide S receptor	Q8BZP8	Npsr1	Mus musculus (Mouse)	371
554811	Neuropeptide S receptor	P0C0L6	Npsr1	Rattus norvegicus (Rat)	372

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