Compounds > sha 68
Page last updated: 2024-11-12

sha 68

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Cross-References

ID SourceID
PubMed CID11374217
CHEMBL ID469695
SCHEMBL ID2856311
MeSH IDM0522272

Synonyms (25)

Synonym
CHEMBL469695 ,
sha-68
sha 68
bdbm50443391
sha68
n-[(4-fluorophenyl)methyl]-3-oxo-1,1-di(phenyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[4,3-c]pyrazine-7-carboxamide
gtpl5813
SCHEMBL2856311
847553-89-3
n-[(4-fluorophenyl)methyl]tetrahydro-3-oxo-1,1-diphenyl-3h-oxazolo[3,4-a]pyrazine-7(1h)-carboxamide
AKOS024458196
mfcd22683843
n-(4-fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1h-oxazolo[3,4-a]pyrazine-7(3h)-carboxamide
sha-68;sha68
BCP17377
HY-108625
Q7390157
EX-A4987
CS-0029333
MS-28027
n-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
XIB55389
n-(4-fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro[1,3]oxazolo[3,4-a]pyrazine-7(1h)-carboxamide
DTXSID801028552
AC-36652
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (2)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Neuropeptide S receptorHomo sapiens (human)IC50 (µMol)0.13720.00530.13720.4200AID1055405; AID1055406; AID1055407; AID1055408; AID1055414; AID1055415; AID1055416
Neuropeptide S receptorHomo sapiens (human)Ki0.04790.04790.04790.0479AID1831696
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Neuropeptide S receptorMus musculus (house mouse)Kd0.01510.01510.01510.0151AID1831688
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (7)

Processvia Protein(s)Taxonomy
eating behaviorNeuropeptide S receptorHomo sapiens (human)
positive regulation of release of sequestered calcium ion into cytosolNeuropeptide S receptorHomo sapiens (human)
righting reflexNeuropeptide S receptorHomo sapiens (human)
positive regulation of ERK1 and ERK2 cascadeNeuropeptide S receptorHomo sapiens (human)
negative regulation of eating behaviorNeuropeptide S receptorHomo sapiens (human)
negative regulation of defecationNeuropeptide S receptorHomo sapiens (human)
neuropeptide signaling pathwayNeuropeptide S receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
vasopressin receptor activityNeuropeptide S receptorHomo sapiens (human)
neuropeptide receptor activityNeuropeptide S receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (2)

Processvia Protein(s)Taxonomy
plasma membraneNeuropeptide S receptorHomo sapiens (human)
plasma membraneNeuropeptide S receptorHomo sapiens (human)
cytoplasmNeuropeptide S receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (37)

Assay IDTitleYearJournalArticle
AID1055401Metabolic stability in mouse liver microsomes assessed as compound remaining after 15 mins in absence NADPH2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1831696Binding affinity to human NPSR by radioligand binding assay2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Structure-Activity Relationship Studies on Oxazolo[3,4-
AID1831690Effect on locomotor activity in CD-1 mouse at 50 mg/kg, ip measured over 30 mins2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Structure-Activity Relationship Studies on Oxazolo[3,4-
AID1055414Displacement of [125I]Tyr10-NPS from neuropeptide S receptor (unknown origin)2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID593090Agonist activity at human NPSR Ile107 expressed in HEK293 cells assessed as induction of calcium mobilization at up to 10 uM after 30 mins2011Journal of medicinal chemistry, Apr-28, Volume: 54, Issue:8
Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).
AID375533Antagonist activity at human NPSR expressed in HEK293 cells assessed as inhibition of NPS-induced increase in intracellular calcium mobilization2009Journal of medicinal chemistry, Jul-09, Volume: 52, Issue:13
Further studies at neuropeptide s position 5: discovery of novel neuropeptide S receptor antagonists.
AID1831695Antagonist activity at human NPSR-Ile107 variant2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Structure-Activity Relationship Studies on Oxazolo[3,4-
AID1055413Inhibition of NPS-induced hyperlocomotion in mouse at 50 mg/kg, ip after 90 mins2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1055411Drug level in mouse brain after 15 mins2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1055405Displacement of [125I]Tyr10-NPS from human neuropeptide S receptor expressed in CHO cells after 1.5 hrs by liquid scintillation counting2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1055412Drug level in mouse brain after 2 hrs2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID593303Antagonist activity at mouse NPSR expressed in HEK293 cells assessed as inhibition of NPS-induced calcium mobilization after 30 mins2011Journal of medicinal chemistry, Apr-28, Volume: 54, Issue:8
Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).
AID343677Antagonist activity at NPS Ile107 mutant receptor expressed in RD-HGA16 cells assessed by calcium mobilization by FlexStation assay2008Bioorganic & medicinal chemistry letters, Jul-15, Volume: 18, Issue:14
Identifying structural features on 1,1-diphenyl-hexahydro-oxazolo[3,4-a]pyrazin-3-ones critical for Neuropeptide S antagonist activity.
AID343679Ratio of Ke for NPS Asn107 mutant receptor to Ke for NPS Ile107 mutant receptor expressed in RD-HGA16 cells2008Bioorganic & medicinal chemistry letters, Jul-15, Volume: 18, Issue:14
Identifying structural features on 1,1-diphenyl-hexahydro-oxazolo[3,4-a]pyrazin-3-ones critical for Neuropeptide S antagonist activity.
AID1831692In vivo antagonist activity at neuropeptide S receptor in CD-1 mouse assessed as decrease in NPS-stimulated locomotor activity at 50 mg/kg, ip administered 30 mins prior to NPS stimulation and measured after 15 mins2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Structure-Activity Relationship Studies on Oxazolo[3,4-
AID1055415Antagonist activity at neuropeptide S receptor (unknown origin) assessed as cAMP level by cell based assay2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID593089Agonist activity at mouse NPSR expressed in HEK293 cells assessed as induction of calcium mobilization at up to 10 uM after 30 mins2011Journal of medicinal chemistry, Apr-28, Volume: 54, Issue:8
Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).
AID1831694Antagonist activity at human NPSR-Asn107 variant2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Structure-Activity Relationship Studies on Oxazolo[3,4-
AID1055399Metabolic stability in mouse liver microsomes assessed as compound remaining after 60 mins in absence NADPH2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1055408Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered saline assay2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1055404Metabolic stability in mouse liver microsomes assessed as compound remaining after 15 mins in presence NADPH2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID593305Antagonist activity at human NPSR Asn107 expressed in HEK293 cells assessed as inhibition of NPS-induced calcium mobilization after 30 mins2011Journal of medicinal chemistry, Apr-28, Volume: 54, Issue:8
Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).
AID1055416Antagonist activity at neuropeptide S receptor (unknown origin) assessed as intracellular calcium level by cell based assay2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID343955Antagonist activity at NPS Asn107 mutant receptor expressed in RD-HGA16 cells2008Bioorganic & medicinal chemistry letters, Jul-15, Volume: 18, Issue:14
Identifying structural features on 1,1-diphenyl-hexahydro-oxazolo[3,4-a]pyrazin-3-ones critical for Neuropeptide S antagonist activity.
AID1831686Antagonist activity at mouse Neuropeptide S receptor expressed in HEK293 cells assessed as inhibition of NPS stimulated calcium mobilization at 10 mM treated for 24 mins prior to NPS addition measured immediately by Fluo-4AM dye based FLIPR assay2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Structure-Activity Relationship Studies on Oxazolo[3,4-
AID593091Agonist activity at human NPSR Asn107 expressed in HEK293 cells assessed as induction of calcium mobilization at up to 10 uM after 30 mins2011Journal of medicinal chemistry, Apr-28, Volume: 54, Issue:8
Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).
AID1831688Antagonist activity at mouse Neuropeptide S receptor expressed in HEK293 cells assessed as rightward shift in NPS concentration response curve of intracellular calcium mobilization without affecting maximal effect at 100 nM treated for 24 mins prior to NP2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Structure-Activity Relationship Studies on Oxazolo[3,4-
AID593304Antagonist activity at human NPSR Ile107 expressed in HEK293 cells assessed as inhibition of NPS-induced calcium mobilization after 30 mins2011Journal of medicinal chemistry, Apr-28, Volume: 54, Issue:8
Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).
AID343678Antagonist activity at NPS Asn107 mutant receptor expressed in RD-HGA16 cells assessed by calcium mobilization by FlexStation assay2008Bioorganic & medicinal chemistry letters, Jul-15, Volume: 18, Issue:14
Identifying structural features on 1,1-diphenyl-hexahydro-oxazolo[3,4-a]pyrazin-3-ones critical for Neuropeptide S antagonist activity.
AID343954Antagonist activity at NPS Ile107 mutant receptor expressed in RD-HGA16 cells2008Bioorganic & medicinal chemistry letters, Jul-15, Volume: 18, Issue:14
Identifying structural features on 1,1-diphenyl-hexahydro-oxazolo[3,4-a]pyrazin-3-ones critical for Neuropeptide S antagonist activity.
AID1055407Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization after 10 mins by fluorescence assay2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1055403Metabolic stability in mouse liver microsomes assessed as compound remaining after 30 mins in presence NADPH2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1055402Metabolic stability in mouse liver microsomes assessed as compound remaining after 60 mins in presence NADPH2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1055406Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 mins by HTRF assay2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1055400Metabolic stability in mouse liver microsomes assessed as compound remaining after 30 mins in absence NADPH2013Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22
Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.
AID1346298Mouse NPS receptor (Neuropeptide S receptor)2010Peptides, May, Volume: 31, Issue:5
Further studies on the pharmacological profile of the neuropeptide S receptor antagonist SHA 68.
AID1346362Rat NPS receptor (Neuropeptide S receptor)2012Peptides, Apr, Volume: 34, Issue:2
[tBu-D-Gly5]NPS, a pure and potent antagonist of the neuropeptide S receptor: in vitro and in vivo studies.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (28.57)29.6817
2010's4 (57.14)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 28.23

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index28.23 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.62 (4.65)
Search Engine Demand Index27.81 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (28.23)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
substance p
[no description available]		2.0510peptideneurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent
bradykinin
[no description available]		2.0510oligopeptidehuman blood serum metabolite;
vasodilator agent
naloxone
Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.. naloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.		2.0810morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
morphine
Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.		2.0810morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
dermorphin
dermorphin: opiate-like peptide present in amphibian skin		2.0510oligopeptide
nociceptin
[no description available]		2.0510organic molecular entity;
polypeptide		human metabolite;
rat metabolite
dynorphin (1-17)
[no description available]		2.0510
urotensin ii
[no description available]		2.0510
ConditionIndicatedRelationship StrengthStudiesTrials