TRICYCLAZOLE

/static/temp/default.svg Search structure
UNII R7U3MEU7VR
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 DQJCHOQLCLEDLL-UHFFFAOYSA-N
Smiles Cc1cccc2sc3nncn3c12
InChI
InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7N3S
Molecular Weight 189.24
AlogP 2.47
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 58.43
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 13.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Magnaporthe grisea infected compound pre-treated rice plant seedlings assessed as rice blast disease control efficacy at 0.5 ug/mL under greenhouse conditions Magnaporthe grisea 95.0 %
Antifungal activity against Magnaporthe grisea infected compound pre-treated rice plant seedlings assessed as rice blast disease control efficacy at 10 ug/mL under greenhouse conditions Magnaporthe grisea 100.0 %
Antifungal activity against logarithmic phase of Magnaporthe grisea ATCC 64413 assessed as growth inhibition measured at 5 days post-drug treatment Magnaporthe grisea 474000.0 nM
Antifungal activity against logarithmic phase of Magnaporthe grisea ATCC 64413 assessed as growth inhibition at 100 ug/ml measured at 5 days post-drug treatment Magnaporthe grisea 62.0 %
Antifungal activity against logarithmic phase of Magnaporthe grisea ATCC 64413 assessed as growth inhibition at 50 ug/ml measured at 5 days post-drug treatment Magnaporthe grisea 24.0 %
Antifungal activity against logarithmic phase of Magnaporthe grisea ATCC 64413 assessed as growth inhibition at 10 ug/ml measured at 5 days post-drug treatment Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea P-2 in wounded rice plant assessed as lesions of rice blast on rice foliage disease at 10 ug/ml Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea P-2 in wounded rice plant assessed as lesions of rice blast on rice foliage disease at 1 ug/ml Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea P-2 in nonwounded rice plant assessed as lesions of rice blast on rice foliage disease at 10 ug/ml Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea P-2 in nonwounded rice plant assessed as lesions of rice blast on rice foliage disease at 1 ug/ml Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea P-2 assessed as inhibition of appressorium formation at 10 ug/ml Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea P-2 assessed as inhibition of appressorium formation at 1 ug/ml Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea P-2 assessed as inhibition of spore germination at 10 ug/ml Magnaporthe grisea 7.2 %
Fungicidal activity against Magnaporthe grisea P-2 assessed as inhibition of spore germination at 1 ug/ml Magnaporthe grisea 3.8 %
Fungicidal activity against Magnaporthe grisea P-2 in rice plant assessed as systemic effect of rice blast disease measured as percentage of lesion area in third leaf at 100 ug/ml Magnaporthe grisea 100.0 %
Fungicidal activity against Magnaporthe grisea P-2 in rice plant assessed as curative effect of rice blast disease measured as percentage of lesion area in third leaf at 100 ug/ml Magnaporthe grisea None
Fungicidal activity against Rhizoctonia solani assessed as inhibition rate of circle mycelium growth at 100 ug/ml relative to control Rhizoctonia solani 22.0 %
Fungicidal activity against Rhizoctonia solani assessed as inhibition rate of circle mycelium growth at 200 ug/ml relative to control Rhizoctonia solani 33.0 %
Fungicidal activity against Rhizoctonia solani assessed as inhibition rate of circle mycelium growth at 400 ug/ml relative to control Rhizoctonia solani 57.0 %
Fungicidal activity against Rhizoctonia solani assessed as inhibition rate of circle mycelium growth at 500 ug/ml Rhizoctonia solani 85.0 %
Fungicidal activity against Ustilaginoidea oryzae assessed as inhibition rate of circle mycelium growth at 500 ug/ml Ustilaginoidea 0.0 %
Fungicidal activity against Alternaria alternata assessed as inhibition rate of circle mycelium growth at 500 ug/ml Alternaria alternata 0.0 %
Fungicidal activity against Phytophthora capsici assessed as inhibition rate of circle mycelium growth at 500 ug/ml Phytophthora capsici 27.8 %
Fungicidal activity against Fusarium graminearum assessed as inhibition rate of circle mycelium growth at 500 ug/ml Fusarium graminearum 13.6 %
Fungicidal activity against Botryotinia fuckeliana assessed as inhibition rate of circle mycelium growth at 500 ug/ml Botryotinia fuckeliana 52.8 %
Fungicidal activity against Sclerotinia sclerotiorum assessed as inhibition rate of circle mycelium growth at 500 ug/ml Sclerotinia sclerotiorum 72.7 %
Fungicidal activity against Magnaporthe oryzae infected on foliar spray based compound pre-treated second-leaf stage rice plants assessed as rice blast disease control level at 2 ppm measured 5 days post fungal exposure relative to untreated control Magnaporthe oryzae 95.0 %
Fungicidal activity against Magnaporthe oryzae infected on foliar spray based compound pre-treated second-leaf stage rice plants assessed as rice blast disease control level at 10 ppm measured 5 days post fungal exposure relative to untreated control Magnaporthe oryzae 100.0 %
Fungicidal activity against Magnaporthe oryzae infected on foliar spray based compound pre-treated second-leaf stage rice plants assessed as rice blast disease control level at 50 ppm measured 5 days post fungal exposure relative to untreated control Magnaporthe oryzae 100.0 %
Fungicidal activity against Magnaporthe oryzae infected on foliar spray based compound pre-treated second-leaf stage rice plants assessed as rice blast disease control level at 250 ppm measured 5 days post fungal exposure relative to untreated control Magnaporthe oryzae 100.0 %
Antifungal activity against Magnaporthe grisea ATCC 64413 assessed as growth inhibition at 10 ug/ml after 5 days Magnaporthe grisea 0.0 %
Antifungal activity against Magnaporthe grisea ATCC 64413 assessed as growth inhibition at 50 ug/ml after 5 days Magnaporthe grisea 23.5 %
Antifungal activity against Magnaporthe grisea ATCC 64413 assessed as growth inhibition at 100 ug/ml after 5 days Magnaporthe grisea 61.5 %
Antifungal activity against Magnaporthe grisea ATCC 64413 assessed as growth inhibition at 200 ug/ml after 5 days Magnaporthe grisea 94.0 %
In vitro antifungal activity against Magnaporthe grisea on eight-leaf stage rice plant assessed as reduction of blast disease at 10 to 500 ug/mL Magnaporthe grisea None
Antifungal activity against Magnaporthe grisea infested rice plant grown under greenhouse condition assessed as reduction in lesion formation on second leaves at 500 ug/ml sprayed at eight-leaf stage 1 day prior inoculation measured after 5 days post inoculation Magnaporthe grisea None
Antifungal activity against Magnaporthe grisea infested rice plant grown under greenhouse condition assessed as reduction in lesion formation on second leaves at 100 ug/ml sprayed at eight-leaf stage 1 day prior inoculation measured after 5 days post inoculation Magnaporthe grisea None
Antifungal activity against Penicillium crustosum assessed as bleaching of hyphae at 200 ug/ml after 5 days by electron microscopy Penicillium crustosum None
Antifungal activity against Penicillium italicum ATCC 48952 assessed as bleaching of hyphae at 200 ug/ml after 5 days by electron microscopy Penicillium italicum None
Antifungal activity against Trichoderma harzianum (Pers.)-Tul assessed as bleaching of hyphae at 200 ug/ml after 5 days by electron microscopy Trichoderma harzianum None
Antifungal activity against Hypocrea rufa assessed as bleaching of hyphae at 200 ug/ml after 5 days by electron microscopy Hypocrea rufa None
Antifungal activity against Alternaria solani Nees assessed as color variation of hyphae at 200 ug/ml after 5 days by electron microscopy Alternaria solani None
Antifungal activity against Sclerotinia minor assessed as bleaching/decolorization of hyphae at 200 ug/ml after 5 days by electron microscopy Sclerotinia minor None
Antifungal activity against Botryotinia fuckeliana assessed as appearance of numerous vacuoles in hyphae at 200 ug/ml after 5 days by electron microscopy Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana assessed as disorganized hyphae at 200 ug/ml after 5 days by electron microscopy Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana assessed as appearance of electron dense stacks in nucleus at 200 ug/ml after 5 days by electron microscopy Botryotinia fuckeliana None
Antifungal activity against Thielaviopsis basicola assessed as growth inhibition at 200 ug/ml after 5 days Thielaviopsis basicola 66.6 %
Antifungal activity against Thielaviopsis basicola assessed as growth inhibition at 100 ug/ml after 5 days Thielaviopsis basicola 40.1 %
Antifungal activity against Alternaria solani assessed as growth inhibition at 200 ug/ml after 5 days Alternaria solani 0.0 %
Antifungal activity against Alternaria solani assessed as growth inhibition at 100 ug/ml after 5 days Alternaria solani 0.0 %
Antifungal activity against Sclerotinia minor assessed as growth inhibition at 200 ug/ml after 5 days Sclerotinia minor 0.0 %
Antifungal activity against Sclerotinia minor assessed as growth inhibition at 100 ug/ml after 5 days Sclerotinia minor 0.0 %
Antifungal activity against Penicillium crustosum assessed as growth inhibition at 200 ug/ml after 5 days Penicillium crustosum 95.0 %
Antifungal activity against Penicillium crustosum assessed as growth inhibition at 100 ug/ml after 5 days Penicillium crustosum 80.3 %
Antifungal activity against Penicillium italicum ATCC 48952 assessed as growth inhibition at 200 ug/ml after 5 days Penicillium italicum 70.4 %
Antifungal activity against Penicillium italicum ATCC 48952 assessed as growth inhibition at 100 ug/ml after 5 days Penicillium italicum 20.1 %
Antifungal activity against Botryotinia fuckeliana assessed as color variation of hyphae at 200 ug/ml after 5 days by electron microscopy Botryotinia fuckeliana None
Antifungal activity against Hypocrea rufa assessed as growth inhibition at 200 ug/ml after 5 days Hypocrea rufa 60.0 %
Antifungal activity against Hypocrea rufa assessed as growth inhibition at 100 ug/ml after 5 days Hypocrea rufa 20.2 %
Antifungal activity against Trichoderma harzianum (Pers.)-Tul assessed as growth inhibition at 100 ug/ml after 5 days Trichoderma harzianum 20.0 %
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition at 200 ug/ml after 5 days Botryotinia fuckeliana 77.8 %
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition at 100 ug/ml after 5 days Botryotinia fuckeliana 29.6 %
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition at 50 ug/ml after 5 days Botryotinia fuckeliana 8.3 %
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition at 10 ug/ml after 5 days Botryotinia fuckeliana 0.0 %
Antifungal activity against Magnaporthe grisea assessed as growth inhibition at 200 ug/ml after 5 days Magnaporthe grisea 94.0 %
Antifungal activity against Magnaporthe grisea assessed as growth inhibition at 100 ug/ml after 5 days Magnaporthe grisea 62.3 %
Antifungal activity against Magnaporthe grisea assessed as growth inhibition at 10 ug/ml after 5 days Magnaporthe grisea 0.0 %
Antifungal activity against Magnaporthe grisea assessed as color variation of hyphae at 200 ug/ml after 5 days by electron microscopy Magnaporthe grisea None
Antifungal activity against Trichoderma harzianum (Pers.)-Tul assessed as growth inhibition at 200 ug/ml after 5 days Trichoderma harzianum 50.2 %
Antifungal activity against Magnaporthe grisea assessed as growth inhibition at 50 ug/ml after 5 days Magnaporthe grisea 24.1 %
Inhibition of Magnaporthe grisea Hoku-1 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into cellophane membrane at 1 ppm after 7 days by pot test relative to control Magnaporthe grisea 4.3 %
Inhibition of Magnaporthe grisea Hoku-1 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into cellophane membrane at 0.3 ppm after 7 days by pot test relative to control Magnaporthe grisea 2.9 %
Inhibition of Magnaporthe grisea Hoku-1 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into cellophane membrane at 0.1 ppm after 7 days by pot test relative to control Magnaporthe grisea 5.0 %
Inhibition of Magnaporthe grisea Hoku-1 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into cellophane membrane at 0.03 ppm after 7 days by pot test relative to control Magnaporthe grisea 5.3 %
Inhibition of Magnaporthe grisea TH 67-22 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into adaxial epidermal cells at 1 ppm after 7 days by pot test relative to control Magnaporthe grisea 50.0 %
Inhibition of Magnaporthe grisea TH 67-22 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into adaxial epidermal cells at 0.3 ppm after 7 days by pot test relative to control Magnaporthe grisea 19.0 %
Inhibition of Magnaporthe grisea TH 67-22 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into adaxial epidermal cells at 0.1 ppm after 7 days by pot test relative to control Magnaporthe grisea 64.0 %
Inhibition of Magnaporthe grisea infection of rice plant at 0.001 % sprayed onto inoculated rice seedlings at every 2 hr from 2 to 12 hr after inoculation measured after 10 hr Magnaporthe grisea None
Inhibition of Magnaporthe grisea infection of rice plant at 0.001 % sprayed onto inoculated rice seedlings at every 2 hr from 2 to 12 hr after inoculation measured after 8 hr Magnaporthe grisea None
Inhibition of Magnaporthe grisea TH 67-22 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into adaxial epidermal cells at 0.03 ppm after 7 days by pot test relative to control Magnaporthe grisea 110.0 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice yield at 20% WP with formulation dose of 80 g/667 m'2 applied using knapsack sprayer measured under field trials (Rvb = 5940.6 +/-1.8 kg/hm'2) Magnaporthe oryzae 6485.7 Kg/hr.m2
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease control efficacy at 20% WP with formulation dose of 80 g/667 m'2 applied using knapsack sprayer measured under field trials Magnaporthe oryzae 76.1 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease incidence at 20% WP with formulation dose of 80 g/667 m'2 applied using knapsack sprayer measured under field trials (Rvb = 43.7 +/-5.4%) Magnaporthe oryzae 19.3 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease control efficacy treated after fungal inoculation at 20% WP measured under green house conditions Magnaporthe oryzae 63.6 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease control efficacy treated 24 hr prior to fungal inoculation at 20% WP measured at 6 days post-inoculation under green house conditions Magnaporthe oryzae 70.8 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease incidence treated after fungal inoculation at 20% WP measured under green house conditions (Rvb = 92.4 +/-5.6%) Magnaporthe oryzae 76.6 %
Antifungal activity against Magnaporthe oryzae in rice seedlings assessed as rice blast disease incidence treated 24 hr prior to fungal inoculation at 20% WP measured at 6 days post-inoculation under green house conditions (Rvb = 92.4 +/-5.6%) Magnaporthe oryzae 62.4 %
Fungicidal activity against Magnaporthe oryzae in five leaf stage carnaroli plants assessed as decrease in frequency of type 3 lesions at 0.01 to 1 mg/l Magnaporthe oryzae None
Fungicidal activity against Magnaporthe oryzae in five leaf stage carnaroli plants assessed as decrease in disease incidence at 0.01 to 1 mg/l Magnaporthe oryzae None
Fungicidal activity against Magnaporthe oryzae assessed as germination of conidia at 0.01 to 1 mg/l at 26 degC measured after 7 days Magnaporthe oryzae 89.0 %
Fungicidal activity against Magnaporthe oryzae assessed as inhibition of sporulation at 5 mg/l at 26 degC measured after 7 days Magnaporthe oryzae 95.0 %
Fungicidal activity against Magnaporthe oryzae assessed as inhibition of sporulation at 26 degC measured after 7 days Magnaporthe oryzae 0.072 ug.mL-1
Fungicidal activity against Magnaporthe oryzae assessed as inhibition of mycelium growth at 26 degC measured after 7 days Magnaporthe oryzae 1.0 mg/L Fungicidal activity against Magnaporthe oryzae assessed as inhibition of mycelium growth at 26 degC measured after 7 days Magnaporthe oryzae 215.64 mg/L

Cross References

Resources Reference
ChEMBL CHEMBL357021
FDA SRS R7U3MEU7VR
PubChem 39040
SureChEMBL SCHEMBL23082
ZINC ZINC02006632
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