5-anilino-3-oxo-4-isothiazolecarbonitrile profile

ID Source	ID
PubMed CID	2726555
CHEMBL ID	209793
CHEBI ID	107126
SCHEMBL ID	3527060

Synonym
5-anilino-3-hydroxy-1,2-thiazole-4-carbonitrile
5-ANILINO-3-HYDROXY-4-ISOTHIAZOLECARBONITRILE
OPREA1_090337
5-anilino-3-oxo-isothiazole-4-carbonitrile
4-isothiazolecarbonitrile, 2,3-dihydro-3-oxo-5-(phenylamino)-
MLS000850692
smr000456709
5-anilino-3-hydroxyisothiazole-4-carbonitrile
MAYBRIDGE4_002946
NCGC00176381-01
CHEBI:107126
HMS1529F20
bdbm50187849
5-phenylamino-4-cyano-3-hydroxy-isothiazole
CHEMBL209793 ,
BRD-K23173968-001-01-1
5-anilino-3-oxo-1,2-thiazole-4-carbonitrile
CCG-1976
BRD-K23173968-001-08-6
HMS2799B08
1137-65-1
3-hydroxy-5-phenylamino-isothiazol-4-carbonitrile
GHXPCAXQBVCFNU-UHFFFAOYSA-N
SCHEMBL3527060
5-anilino-3-oxo-4-isothiazolecarbonitrile
Q27185166
DTXSID30369410
PD182663

Class	Description
substituted aniline
[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)
phosphopantetheinyl transferase	Bacillus subtilis	Potency	19.9526	0.1413	37.9142	100.0000	AID1490
GLS protein	Homo sapiens (human)	Potency	12.5893	0.3548	7.9355	39.8107	AID624170
TDP1 protein	Homo sapiens (human)	Potency	8.1995	0.0008	11.3822	44.6684	AID686978; AID686979
Microtubule-associated protein tau	Homo sapiens (human)	Potency	15.8489	0.1800	13.5574	39.8107	AID1468
Smad3	Homo sapiens (human)	Potency	19.9526	0.0052	7.8098	29.0929	AID588855
regulator of G-protein signaling 4	Homo sapiens (human)	Potency	56.2341	0.5318	15.4358	37.6858	AID504845
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	12.5893	0.0355	20.9770	89.1251	AID504332
vitamin D3 receptor isoform VDRA	Homo sapiens (human)	Potency	4.8876	0.3548	28.0659	89.1251	AID504847; AID602199; AID602201
importin subunit beta-1 isoform 1	Homo sapiens (human)	Potency	125.8920	5.8048	36.1306	65.1308	AID540263
snurportin-1	Homo sapiens (human)	Potency	125.8920	5.8048	36.1306	65.1308	AID540263
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	100.0000	0.0501	27.0736	89.1251	AID588590
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	23.3507	0.0079	8.2332	1,122.0200	AID2546; AID2551
geminin	Homo sapiens (human)	Potency	17.3582	0.0046	11.3741	33.4983	AID624296; AID624297
DNA dC->dU-editing enzyme APOBEC-3F isoform a	Homo sapiens (human)	Potency	22.3872	0.0259	11.2398	31.6228	AID602313
[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)
rac GTPase-activating protein 1 isoform a	Homo sapiens (human)	IC50 (µMol)	79.5000	7.3900	57.8904	301.2400	AID624330
Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)	IC50 (µMol)	7.0000	0.0002	0.6813	9.7000	AID269150
[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)
hypothetical protein CAALFM_CR05890CA	Candida albicans SC5314	AC50	5.8400	1.5500	13.0038	54.7000	AID588764
H3 histone acetyltransferase	Candida albicans SC5314	AC50	5.8400	1.5500	13.0038	54.7000	AID588764
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
chemotaxis	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
signal transduction	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
heart development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
negative regulation of cell population proliferation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of gene expression	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
Schwann cell development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
cerebellar cortex formation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
keratinocyte differentiation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
thyroid gland development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
regulation of stress-activated MAPK cascade	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
endodermal cell differentiation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
ERBB2-ERBB3 signaling pathway	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
myelination	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
type B pancreatic cell proliferation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of DNA-templated transcription	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
insulin-like growth factor receptor signaling pathway	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
thymus development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
regulation of axon regeneration	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
cell motility	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of axonogenesis	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
Bergmann glial cell differentiation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
face development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
trachea formation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
epithelial cell proliferation involved in lung morphogenesis	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
placenta blood vessel development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
labyrinthine layer development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
ERK1 and ERK2 cascade	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of protein serine/threonine kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
regulation of Golgi inheritance	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
cellular senescence	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of endodermal cell differentiation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
regulation of early endosome to late endosome transport	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
neuron differentiation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
MAPK cascade	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
protein kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein serine/threonine kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
MAP kinase kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein serine/threonine/tyrosine kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein tyrosine kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
MAP-kinase scaffold activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein binding	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
ATP binding	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein kinase activator activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein serine/threonine kinase activator activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
scaffold protein binding	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein serine kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
nucleus	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
mitochondrion	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
early endosome	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
late endosome	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
endoplasmic reticulum	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
Golgi apparatus	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
centrosome	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
cytosol	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
plasma membrane	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
focal adhesion	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (16)

Assay ID	Title	Year	Journal	Article
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
AID1745845	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.
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.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID269150	Inhibition of MEK1	2006	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 16, Issue:15	Discovery of 3-hydroxy-4-carboxyalkylamidino-5-arylamino-isothiazoles as potent MEK1 inhibitors.
[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	2 (25.00)	29.6817
2010's	5 (62.50)	24.3611
2020's	1 (12.50)	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	8 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
5-(4-chloroanilino)-3-oxo-4-isothiazolecarbonitrile [no description available]	2.03	1	0	substituted aniline

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	2.05	1
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.	2.05	1
Encephalitis, Polio [description not available]	2.06	1
Poliomyelitis An acute infectious disease of humans, particularly children, caused by any of three serotypes of human poliovirus (POLIOVIRUS). Usually the infection is limited to the gastrointestinal tract and nasopharynx, and is often asymptomatic. The central nervous system, primarily the spinal cord, may be affected, leading to rapidly progressive paralysis, coarse FASCICULATION and hyporeflexia. Motor neurons are primarily affected. Encephalitis may also occur. The virus replicates in the nervous system, and may cause significant neuronal loss, most notably in the spinal cord. A rare related condition, nonpoliovirus poliomyelitis, may result from infections with nonpoliovirus enteroviruses. (From Adams et al., Principles of Neurology, 6th ed, pp764-5)	2.06	1

5-anilino-3-oxo-4-isothiazolecarbonitrile

Cross-References

Synonyms (28)

Drug Classes (1)

Protein Targets (18)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (35)

Molecular Functions (12)

Ceullar Components (10)

Bioassays (16)

Research

Studies (8)

Market Indicators

Research Demand Index: 12.07

Study Types

5-anilino-3-oxo-4-isothiazolecarbonitrile

Cross-References

Synonyms (28)

Drug Classes (1)

Protein Targets (18)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (35)

Molecular Functions (12)

Ceullar Components (10)

Bioassays (16)

Research

Studies (8)

Market Indicators

Research Demand Index: 12.07

Study Types

Related Drugs (1)

Related Conditions (4)