1,2,3-BENZOTHIA-DIAZOLE-7-CARBOXYLIC ACID

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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 COAIOOWBEPAOFY-UHFFFAOYSA-N
Smiles OC(=O)c1cccc2nnsc12
InChI
InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4N2O2S
Molecular Weight 180.18
AlogP 1.63
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 91.32
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 12.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Botryotinia fuckeliana assessed as growth inhibition at 50 ug/ml after 2 days Botryotinia fuckeliana 72.07 %
Fungicidal activity against Fusarium graminearum assessed as growth inhibition at 50 ug/ml after 2 days Fusarium graminearum 60.71 %
Fungicidal activity against Botryosphaeria berengeriana assessed as growth inhibition at 50 ug/ml after 2 days Botryosphaeria berengeriana 40.51 %
Fungicidal activity against Mycosphaerella arachidis assessed as growth inhibition at 50 ug/ml after 2 days Mycosphaerella arachidis 30.77 %
Fungicidal activity against Alternaria solani assessed as growth inhibition at 50 ug/ml after 2 days Alternaria solani 42.36 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 2000 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 2.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 50 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 10.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 100 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 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 5.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 1000 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 2000 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 12.0 %
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 3.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 100 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 0.0 %
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 5.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 1000 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 8.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 2000 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 None
Antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 2000 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 8.0 %
Antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 1000 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 6.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 50 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 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 1000 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 18.0 %
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 5.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 100 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 8.0 %
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 3.0 %
Antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 100 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 5.0 %
Antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 50 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 7.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2228257
PubChem 10921109
SureChEMBL SCHEMBL2455715
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