2-naphthalenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester profile

ID Source	ID
PubMed CID	44142084
CHEMBL ID	1270704
CHEBI ID	92713
SCHEMBL ID	1531716

Synonym
NCGC00183403-01
smr001318084
MLS002391454
MLS002276546
CHEMBL1270704 ,
HMS2210H15
bdbm50417153
HMS3329D05
SCHEMBL1531716
CHEBI:92713
2-naphthalenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
Q27164423

Class	Description
naphthoic acid	An aromatic carboxylic acid that consists of a naphthalene skeleton substituted by one or more carboxy groups.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	14.7213	0.1000	20.8793	79.4328	AID588453; AID588456
15-lipoxygenase, partial	Homo sapiens (human)	Potency	0.0300	0.0126	10.6917	88.5700	AID2155
chromobox protein homolog 1	Homo sapiens (human)	Potency	56.2341	0.0060	26.1688	89.1251	AID540317
urokinase-type plasminogen activator precursor	Mus musculus (house mouse)	Potency	5.6234	0.1585	5.2879	12.5893	AID540303
plasminogen precursor	Mus musculus (house mouse)	Potency	5.6234	0.1585	5.2879	12.5893	AID540303
urokinase plasminogen activator surface receptor precursor	Mus musculus (house mouse)	Potency	5.6234	0.1585	5.2879	12.5893	AID540303
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)	IC50 (µMol)	5.6314	0.0400	2.0998	10.0000	AID1630859; AID1630860; AID1630861; AID1630863; AID1630864; AID1630865; AID1630866; AID1630867; AID1630868
Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)	Ki	0.0220	0.0100	1.7077	8.1000	AID527531
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
ossification	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
negative regulation of adaptive immune response	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
lipid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
phosphatidylethanolamine biosynthetic process	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
inflammatory response	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
positive regulation of cell-substrate adhesion	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
arachidonic acid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
lipoxygenase pathway	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
fatty acid oxidation	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
bone mineralization	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
positive regulation of actin filament polymerization	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
response to endoplasmic reticulum stress	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
regulation of peroxisome proliferator activated receptor signaling pathway	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
cellular response to interleukin-13	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
wound healing	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
apoptotic cell clearance	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
linoleic acid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
regulation of inflammatory response	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
hepoxilin biosynthetic process	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
cellular response to calcium ion	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
regulation of engulfment of apoptotic cell	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
lipoxin A4 biosynthetic process	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
lipid oxidation	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
arachidonate 12(S)-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
iron ion binding	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
protein binding	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
phosphatidylinositol-4,5-bisphosphate binding	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
linoleate 13S-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
arachidonate 15-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
lipid droplet	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
cytosol	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
plasma membrane	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
cytoplasmic side of plasma membrane	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
membrane	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
plasma membrane	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
cytosol	Polyunsaturated fatty acid lipoxygenase ALOX15	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (36)

Assay ID	Title	Year	Journal	Article
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1630869	Ratio of IC50 for human N-terminal His6-tagged 15-LOX-1 L407A mutant expressed in sf9 cells to IC50 for wild type human N-terminal His6-tagged 15-LOX-1 expressed in sf9 cells	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630867	Inhibition of human N-terminal His6-tagged 15-LOX-1 R404L mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visible spectrophotometric analysis	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630880	Mixed type inhibition of human N-terminal His6-tagged 15-LOX-1 L407A mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometry based Dixon plot	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630872	Ratio of Kic for human N-terminal His6-tagged 15-LOX-1 E356Q mutant expressed in sf9 cells to Kic for wild type human N-terminal His6-tagged 15-LOX-1 expressed in sf9 cells	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630881	Mixed type inhibition of human N-terminal His6-tagged 15-LOX-1 F414I mutant expressed in sf9 cells using linoleic acid as substrate by UV-Visible spectrophotometry based Dixon plot	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630861	Inhibition of wild type human N-terminal His6-tagged 15-LOX-1 expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visible spectrophotometric analysis	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630873	Ratio of Kic for human N-terminal His6-tagged 15-LOX-1 L407A mutant expressed in sf9 cells to Kic for wild type human N-terminal His6-tagged 15-LOX-1 expressed in sf9 cells	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630865	Inhibition of human N-terminal His6-tagged 15-LOX-1 E356Q mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometric analysis	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630859	Inhibition of human N-terminal His6-tagged 15-LOX-1 L407A mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometric analysis	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630875	Mixed type inhibition of human N-terminal His6-tagged 15-LOX-1 E356Q mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometry based Henri-Michaelis-Menten plot	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID527531	Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis	2010	Journal of medicinal chemistry, Oct-28, Volume: 53, Issue:20	Discovery of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1.
AID1630864	Inhibition of human N-terminal His6-tagged 15-LOX-1 F414W mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometric analysis	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630870	Ratio of Kic for human N-terminal His6-tagged 15-LOX-1 F414I mutant expressed in sf9 cells to Kic for wild type human N-terminal His6-tagged 15-LOX-1 expressed in sf9 cells	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630878	Mixed type inhibition of human N-terminal His6-tagged 15-LOX-1 F414W mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometry based Dixon plot	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630866	Inhibition of human N-terminal His6-tagged 15-LOX-1 Q547L mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometric analysis	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630860	Inhibition of human N-terminal His6-tagged 15-LOX-1 I417A mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visible spectrophotometric analysis	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630874	Mixed type inhibition of human N-terminal His6-tagged 15-LOX-1 F414W mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometry based Henri-Michaelis-Menten plot	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630863	Inhibition of human N-terminal His6-tagged 15-LOX-1 F414I mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visible spectrophotometric analysis	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630876	Mixed type inhibition of human N-terminal His6-tagged 15-LOX-1 L407A mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometry based Henri-Michaelis-Menten plot	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630877	Mixed type inhibition of human N-terminal His6-tagged 15-LOX-1 F414I mutant expressed in sf9 cells using linoleic acid as substrate by UV-Visible spectrophotometry based Henri-Michaelis-Menten plot	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630868	Inhibition of human N-terminal His6-tagged 15-LOX-1 R402L mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visible spectrophotometric analysis	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630879	Mixed type inhibition of human N-terminal His6-tagged 15-LOX-1 E356Q mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometry based Dixon plot	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
AID1630871	Ratio of Kic for human N-terminal His6-tagged 15-LOX-1 F414W mutant expressed in sf9 cells to Kic for wild type human N-terminal His6-tagged 15-LOX-1 expressed in sf9 cells	2016	Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21	Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	1 (14.29)	29.6817
2010's	5 (71.43)	24.3611
2020's	1 (14.29)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	7 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes
4-fluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester [no description available]	2.05	1	naphthalenes
4-methoxybenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester [no description available]	2.05	1	methoxybenzoic acid
4-bromobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester [no description available]	2.05	1	naphthalenes
2-benzofurancarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester [no description available]	2.05	1	naphthalenes
4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]-2-butyn-1-ol [no description available]	2.05	1	naphthalenes
4-chlorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester [no description available]	2.05	1	naphthalenes
4-(dimethylamino)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester [no description available]	2.05	1	naphthalenes
2-methoxybenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester [no description available]	2.05	1	methoxybenzoic acid
1H-imidazole-5-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester [no description available]	2.05	1	naphthalenes
1H-indole-4-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester [no description available]	2.05	1	indolyl carboxylic acid

Condition	Indicated	Relationship Strength	Studies	Trials
Innate Inflammatory Response [description not available]	0	2.05	1	0
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	0	2.05	1	0

2-naphthalenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

Cross-References

Synonyms (12)

Drug Classes (1)

Protein Targets (7)

Potency Measurements

Inhibition Measurements

Biological Processes (25)

Molecular Functions (6)

Ceullar Components (5)

Bioassays (36)

Research

Studies (7)

Market Indicators

Research Demand Index: 12.20

Study Types

2-naphthalenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

Cross-References

Synonyms (12)

Drug Classes (1)

Protein Targets (7)

Potency Measurements

Inhibition Measurements

Biological Processes (25)

Molecular Functions (6)

Ceullar Components (5)

Bioassays (36)

Research

Studies (7)

Market Indicators

Research Demand Index: 12.20

Study Types

Related Drugs (10)

Related Conditions (2)