TIADINIL

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Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key VJQYLJSMBWXGDV-UHFFFAOYSA-N
Smiles Cc1ccc(NC(=O)c2snnc2C)cc1Cl
InChI
InChI=1S/C11H10ClN3OS/c1-6-3-4-8(5-9(6)12)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10ClN3OS
Molecular Weight 267.73
AlogP 2.88
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 83.12
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Induction of systemic acquired resistance activity in TMV infected-Nicotiana tabacum (tobacco) leaves at 50 ug/ml Nicotiana tabacum 50.0 %
Phytotoxicity against Nicotiana tabacum (tobacco) plant Nicotiana tabacum None
Induction of systemic acquired resistance activity in TMV infected-Nicotiana tabacum (tobacco) leaves at 100 ug/ml Nicotiana tabacum 52.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as inactivation effect at 100 ug/ml co-treated with virus for 30 min before inoculation onto leaves measured at 2-3 days after viral challenge Tobacco mosaic virus 42.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as inactivation effect at 500 ug/ml co-treated with virus for 30 min before inoculation onto leaves measured at 2-3 days after viral challenge Tobacco mosaic virus 59.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as curative effect at 100 ug/ml treated after viral inoculation measured at 2-3 days after viral challenge Tobacco mosaic virus 46.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as curative effect at 500 ug/ml treated after viral inoculation measured at 2-3 days after viral challenge Tobacco mosaic virus 58.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as protective effect at 100 ug/ml treated 12 hr before viral inoculation measured at 2-3 days after viral challenge Tobacco mosaic virus 57.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as protective effect at 500 ug/ml treated 12 hr before viral inoculation measured at 2-3 days after viral challenge Tobacco mosaic virus 75.0 %
In vitro antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves at 100 ug/ml Tobacco mosaic virus 25.0 %
In vitro antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves at 500 ug/ml Tobacco mosaic virus 48.0 %
Fungicidal activity against Rhizoctonia solani at 50 ug/ml by growth inhibition method Rhizoctonia solani 1.0 %
Fungicidal activity against Puccinia triticina at 50 ug/ml by growth inhibition method Puccinia triticina None
Fungicidal activity against Thanatephorus cucumeris at 50 ug/ml by growth inhibition method Thanatephorus cucumeris 46.0 %
Fungicidal activity against Botryosphaeria berengeriana at 50 ug/ml by growth inhibition method Botryosphaeria berengeriana 74.0 %
Fungicidal activity against Phytophthora infestans at 50 ug/ml by growth inhibition method Phytophthora infestans 46.0 %
Fungicidal activity against Fusarium oxysporum at 50 ug/ml by growth inhibition method Fusarium oxysporum 48.0 %
Fungicidal activity against Fusarium graminearum at 50 ug/ml by growth inhibition method Fusarium graminearum 36.0 %
Fungicidal activity against Colletotrichum lagenaria at 50 ug/ml by growth inhibition method Colletotrichum lagenaria None
Fungicidal activity against Cercospora beticola at 50 ug/ml by growth inhibition method Cercospora beticola 40.0 %
Fungicidal activity against Mycosphaerella arachidis at 50 ug/ml by growth inhibition method Mycosphaerella arachidis 18.0 %
Fungicidal activity against Alternaria solani at 50 ug/ml by growth inhibition method Alternaria solani None
Fungicidal activity against Botryotinia fuckeliana at 50 ug/ml by growth inhibition method Botryotinia fuckeliana 67.0 %
Induction of systemic acquired resistance activity in TMV infected-Nicotiana tabacum (tobacco) leaves at 50 ug/ml Nicotiana tabacum 47.0 %
Induction of systemic acquired resistance activity in TMV infected-Nicotiana tabacum (tobacco) leaves at 100 ug/ml Nicotiana tabacum 49.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as inactivation effect at 100 ug/ml co-treated with virus for 30 min before inoculation onto leaves measured at 2-3 days after viral challenge Tobacco mosaic virus 70.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as inactivation effect at 500 ug/ml co-treated with virus for 30 min before inoculation onto leaves measured at 2-3 days after viral challenge Tobacco mosaic virus 70.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as curative effect at 100 ug/ml treated after viral inoculation measured at 2-3 days after viral challenge Tobacco mosaic virus 12.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as curative effect at 500 ug/ml treated after viral inoculation measured at 2-3 days after viral challenge Tobacco mosaic virus 44.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as protective effect at 100 ug/ml treated 12 hr before viral inoculation measured at 2-3 days after viral challenge Tobacco mosaic virus 35.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves assessed as protective effect at 500 ug/ml treated 12 hr before viral inoculation measured at 2-3 days after viral challenge Tobacco mosaic virus 48.0 %
In vitro antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves at 100 ug/ml Tobacco mosaic virus 37.0 %
In vitro antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves at 500 ug/ml Tobacco mosaic virus 51.0 %
Induction of systemic acquired resistance in Nicotiana tabacum (tobacco) mosaic virus infected Nicotiana tabacum (tobacco) plant at 100 ug/mL at 25 degC for 72 hr Nicotiana tabacum 48.92 %
Antiviral activity against Tobacco mosaic virus (TMV) infected leaves assessed as viral inhibition at 100 ug/mL at 25 degC for 72 hr Tobacco mosaic virus 36.59 %
Antiviral activity against Tobacco mosaic virus (TMV) infected leaves assessed as viral inhibition at 50 ug/mL at 25 degC for 72 hr Tobacco mosaic virus None
Antiviral activity against Tobacco mosaic virus (TMV) infected leaves assessed as viral inhibition at 500 ug/mL at 25 degC for 72 hr Tobacco mosaic virus None
Antifungal activity against Puccinia triticina inoculated on 500 ug/mL compound pre-treated wheat plants with 3 to 5 leaves assessed as growth inhibition Puccinia triticina 40.0 %
Antifungal activity against Ceratobasidium cereale assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Ceratobasidium cereale None
Antifungal activity against Botryosphaeria berengeriana assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Botryosphaeria berengeriana None
Antifungal activity against Phytophthora infestans assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Phytophthora infestans None
Antifungal activity against Rhizoctonia solani assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Rhizoctonia solani None
Antifungal activity against Alternaria solani assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Alternaria solani 0.0 %
Antifungal activity against Fusarium oxysporum f. sp. vasinfectum assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Fusarium oxysporum f. sp. vasinfectum 5.3 %
Antifungal activity against Alternaria kikuchiana assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Alternaria kikuchiana 0.0 %
Antifungal activity against Glomerella cingulata assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Glomerella cingulata 51.6 %
Antifungal activity against Colletotrichum lagenaria assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Colletotrichum lagenaria 22.8 %
Antifungal activity against Valsa mali assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Valsa mali 3.6 %
Antifungal activity against Alternaria mali assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Alternaria mali 32.1 %
Antifungal activity against Sclerotinia sclerotiorum assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Sclerotinia sclerotiorum 34.4 %
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Botryotinia fuckeliana 23.9 %
Antifungal activity against Villosiclava virens assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Villosiclava virens 12.0 %
Antifungal activity against Fusarium graminearum assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Fusarium graminearum 25.0 %
Antifungal activity against Phomopsis asparagi assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Phomopsis asparagi 60.0 %
Antifungal activity against Mycosphaerella arachidis assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Mycosphaerella arachidis 13.6 %
Antifungal activity against Fusarium oxysporum assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Fusarium oxysporum 12.5 %
Antifungal activity against Fusarium fujikuroi assessed as growth inhibition at 50 ug/mL measured after 2 days post dose Fusarium fujikuroi 0.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 500 ug/mL compound through irrigation based soil treatment followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 8.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 50 ug/mL compound through leaf spray followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 63.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 500 ug/mL compound through leaf spray followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 40.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 500 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 0.0 %
Antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 500 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL1543783
PubChem 2804318
SureChEMBL SCHEMBL21573
ZINC ZINC00139056
CONTENTS