2-[(2-nitrophenyl)methylthio]-1,3-benzoxazole profile

ID Source	ID
PubMed CID	497458
CHEMBL ID	112060
CHEBI ID	108195

Synonym
2-[(2-nitrophenyl)methylsulfanyl]-1,3-benzoxazole
benzoxazole, 2-[[(2-nitrophenyl)methyl]thio]-
MLS000388972
smr000255146
CHEBI:108195
2-(2-nitrobenzylsulfanyl)benzoxazole
CHEMBL112060
HMS2523D11
AKOS017009351
Q27186873
2-[(2-nitrophenyl)methylthio]-1,3-benzoxazole
Z19651027

Class	Description
benzoxazole	Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton.
[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)
Luciferase	Photinus pyralis (common eastern firefly)	Potency	19.0115	0.0072	15.7588	89.3584	AID588342
glp-1 receptor, partial	Homo sapiens (human)	Potency	22.3872	0.0184	6.8060	14.1254	AID624417
ATAD5 protein, partial	Homo sapiens (human)	Potency	19.4763	0.0041	10.8903	31.5287	AID504466; AID504467
Microtubule-associated protein tau	Homo sapiens (human)	Potency	19.9526	0.1800	13.5574	39.8107	AID1460
P53	Homo sapiens (human)	Potency	50.1187	0.0731	9.6858	31.6228	AID504706
NPC intracellular cholesterol transporter 1 precursor	Homo sapiens (human)	Potency	3.1623	0.0126	2.4518	25.0177	AID485313
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	18.3564	0.0041	9.9848	25.9290	AID504444
ras-related protein Rab-9A	Homo sapiens (human)	Potency	2.2387	0.0002	2.6215	31.4954	AID485297
survival motor neuron protein isoform d	Homo sapiens (human)	Potency	19.9526	0.1259	12.2344	35.4813	AID1458
lamin isoform A-delta10	Homo sapiens (human)	Potency	11.2202	0.8913	12.0676	28.1838	AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (33)

Assay ID	Title	Year	Journal	Article
AID144147	In vitro inhibition of Mycobacterium Kansasi (My 235/80) growth after 14 days culture.	2002	Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22	Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373114	Antimycobacterial activity against Mycobacterium kansasii CNCTC My 235/80 after 14 days by micromethod	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID143722	In vitro inhibition of Mycobacterium Avium growth after 14 days culture.	2002	Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22	Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373115	Antimycobacterial activity against Mycobacterium kansasii CNCTC My 235/80 after 21 days by micromethod	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID144148	In vitro inhibition of Mycobacterium Kansasi (My 235/80) growth after 21 days culture.	2002	Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22	Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID144150	In vitro inhibition of Mycobacterium Kansasi (My 6 509/96) growth after 14 days culture.	2002	Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22	Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID144152	In vitro inhibition of Mycobacterium Kansasi (My 6 509/96) growth after 7 days culture.	2002	Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22	Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373118	Antimycobacterial activity against Mycobacterium kansasii 6509/96 after 21 days by micromethod	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID373119	Antimycobacterial activity against Mycobacterium avium CNCTC My 330/88 after 14 days by micromethod	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID373116	Antimycobacterial activity against Mycobacterium kansasii 6509/96 after 7 days by micromethod	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID144151	In vitro inhibition of Mycobacterium Kansasi (My 6 509/96) growth after 21 days culture.	2002	Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22	Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373120	Antimycobacterial activity against Mycobacterium avium CNCTC My 330/88 after 21 days by micromethod	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID145145	In vitro inhibition of Mycobacterium Tuberculosis (My 331/88) growth after 14 days culture.	2002	Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22	Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373111	Antimycobacterial activity against Mycobacterium tuberculosis CNCTC My 331/88 after 14 days by micromethod	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID373113	Antimycobacterial activity against Mycobacterium kansasii CNCTC My 235/80 after 7 days by micromethod	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID145146	In vitro inhibition of Mycobacterium Tuberculosis (My 331/88) growth after 21 days culture.	2002	Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22	Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373112	Antimycobacterial activity against Mycobacterium tuberculosis CNCTC My 331/88 after 21 days by micromethod	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID144149	In vitro inhibition of Mycobacterium Kansasi (My 235/80) growth after 7 days culture.	2002	Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22	Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373117	Antimycobacterial activity against Mycobacterium kansasii 6509/96 after 14 days by micromethod	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID143841	In vitro inhibition of Mycobacterium Avium (My 330/88) growth after 21 days culture.	2002	Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22	Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
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.
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.
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
[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	3 (42.86)	29.6817
2010's	3 (42.86)	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	Roles
isoniazid Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).	2.43	2	carbohydrazide	antitubercular agent; drug allergen
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole [no description available]	2.43	2	benzoxazole
captax captax: RN given refers to parent cpd. 1,3-benzothiazole-2-thiol : 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.	2.01	1	aryl thiol; benzothiazoles	carcinogenic agent; metabolite
2-mercaptobenzoxazole [no description available]	2.43	2	benzoxazole

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-[(2-nitrophenyl)methylthio]-1,3-benzoxazole

Cross-References

Synonyms (12)

Drug Classes (1)

Protein Targets (10)

Potency Measurements

Bioassays (33)

Research

Studies (7)

Market Indicators

Research Demand Index: 12.28

Study Types

2-[(2-nitrophenyl)methylthio]-1,3-benzoxazole

Cross-References

Synonyms (12)

Drug Classes (1)

Protein Targets (10)

Potency Measurements

Bioassays (33)

Research

Studies (7)

Market Indicators

Research Demand Index: 12.28

Study Types

Related Drugs (4)

Related Conditions (2)