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name Structure Reference Source Properties Activities Metabolism

Triadimefon

AlkaPlorer ID: AK322494

Synonym: None

IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one

Structure

SMILES: CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1

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InChI: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3

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InChIKey: WURBVZBTWMNKQT-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 293.754

TPSA？: 57.010000000000005

MolLogP？: 3.1243000000000016

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Alternaria solani Alternaria solani GI 66.1 % 10.1021/jf802429x
Bipolaris sorokiniana Bipolaris sorokiniana EC50 11.0 ug.mL-1 10.1016/j.ejmech.2011.07.008
Bipolaris sorokiniana Bipolaris sorokiniana GI 71.0 % 10.1016/j.ejmech.2011.07.008
Bipolaris sorokiniana Bipolaris sorokiniana GI 76.0 % 10.1016/j.ejmech.2017.09.009
Blumeria graminis Blumeria graminis Activity 30.0 % 10.1584/jpestics.27.118
Blumeria graminis Blumeria graminis Activity 50.0 % 10.1584/jpestics.27.118
Blumeria graminis Blumeria graminis Activity 90.0 % 10.1584/jpestics.27.118
Blumeria graminis Blumeria graminis Activity 97.0 % 10.1584/jpestics.27.118
Blumeria graminis f. sp. tritici Blumeria graminis f. sp. tritici Activity 0.0 % 10.1584/jpestics.27.127
Blumeria graminis f. sp. tritici Blumeria graminis f. sp. tritici Activity 1.4 % 10.1584/jpestics.24.149
Blumeria graminis f. sp. tritici Blumeria graminis f. sp. tritici Activity 30.0 % 10.1584/jpestics.27.127
Blumeria graminis f. sp. tritici Blumeria graminis f. sp. tritici Activity 57.0 % 10.1584/jpestics.27.127
Blumeria graminis f. sp. tritici Blumeria graminis f. sp. tritici Activity 82.0 % 10.1584/jpestics.27.127
Blumeria graminis f. sp. tritici Blumeria graminis f. sp. tritici Activity 94.0 % 10.1584/jpestics.27.127
Blumeria graminis f. sp. tritici Blumeria graminis f. sp. tritici Activity 97.0 % 10.1584/jpestics.24.149
Blumeria graminis f. sp. tritici Blumeria graminis f. sp. tritici Activity 99.0 % 10.1584/jpestics.27.127
Blumeria graminis f. sp. tritici Blumeria graminis f. sp. tritici EC50 1.6 ppm 10.1584/jpestics.27.127
Botryosphaeria berengeriana Botryosphaeria berengeriana GI 86.7 % 10.1021/jf802429x
Botrytis Botrytis Inhibition 84.0 % 10.1021/jf0632987
Botrytis cinerea Botrytis cinerea EC50 41000.0 nM 10.1021/jf8026843
Botrytis cinerea Botrytis cinerea GI 78.0 % 10.1021/jf8026843
Botrytis cinerea Botrytis cinerea GI 96.0 % 10.1021/jf8026843
Botrytis cinerea Botrytis cinerea Inhibition 78.0 % 10.1016/j.bmcl.2009.09.117
Botrytis cinerea Botrytis cinerea Inhibition 84.0 % 10.1016/j.bmc.2006.09.016
Cercospora beticola Cercospora beticola Inhibition 35.0 % 10.1016/j.ejmech.2013.04.014
Cladosporium cucumerinum Cladosporium cucumerinum GI 81.5 % 10.1021/jf802429x
Colletotrichum fragariae Colletotrichum fragariae IZ 121.0 mm 10.1021/np990628r
Colletotrichum gloeosporioides Colletotrichum gloeosporioides GI 80.0 % 10.1016/j.ejmech.2012.06.041
Colletotrichum gossypii Colletotrichum gossypii EC50 19000.0 nM 10.1021/jf8026843
Colletotrichum gossypii Colletotrichum gossypii GI 97.0 % 10.1021/jf8026843
Colletotrichum gossypii Colletotrichum gossypii GI 100.0 % 10.1021/jf8026843
Colletotrichum gossypii Colletotrichum gossypii Inhibition 95.0 % 10.1016/j.bmc.2006.09.016
Colletotrichum gossypii Colletotrichum gossypii Inhibition 95.0 % 10.1021/jf0632987
Colletotrichum musae Colletotrichum musae GI 90.0 % 10.1016/j.ejmech.2012.06.041
Cucumis sativus Cucumis sativus Activity 50.2 % 10.1021/jf802429x
Dothiorella gregaria Dothiorella gregaria EC50 317000.0 nM 10.1021/jf8026843
Dothiorella gregaria Dothiorella gregaria GI 14.0 % 10.1021/jf8026843
Dothiorella gregaria Dothiorella gregaria GI 71.0 % 10.1021/jf8026843
Dothiorella gregaria Dothiorella gregaria Inhibition 61.0 % 10.1016/j.bmc.2006.09.016
Dothiorella gregaria Dothiorella gregaria Inhibition 61.0 % 10.1021/jf0632987
Fusarium graminearum Fusarium graminearum EC50 163000.0 nM 10.1021/jf8026843
Fusarium graminearum Fusarium graminearum GI 59.0 % 10.1021/jf8026843
Fusarium graminearum Fusarium graminearum GI 72.6 % 10.1021/jf802429x
Fusarium graminearum Fusarium graminearum GI 76.0 % 10.1021/jf8026843
Fusarium graminearum Fusarium graminearum Inhibition 59.0 % 10.1016/j.bmcl.2009.09.117
Fusarium graminearum Fusarium graminearum Inhibition 72.0 % 10.1021/jf0632987
Fusarium oxysporum Fusarium oxysporum EC50 3.25 ug.mL-1 10.1016/j.ejmech.2011.07.008
Fusarium oxysporum Fusarium oxysporum EC50 40000.0 nM 10.1021/jf8026843
Fusarium oxysporum Fusarium oxysporum GI 60.0 % 10.1016/j.ejmech.2011.07.008
Fusarium oxysporum Fusarium oxysporum GI 60.0 % 10.1016/j.ejmech.2012.06.041
Fusarium oxysporum Fusarium oxysporum GI 64.0 % 10.1016/j.ejmech.2017.09.009
Fusarium oxysporum Fusarium oxysporum GI 90.0 % 10.1016/j.ejmech.2012.06.041
Fusarium oxysporum Fusarium oxysporum GI 91.0 % 10.1021/jf8026843
Fusarium oxysporum Fusarium oxysporum GI 97.0 % 10.1021/jf8026843
Fusarium oxysporum Fusarium oxysporum Inhibition 37.0 % 10.1016/j.ejmech.2013.04.014
Fusarium oxysporum Fusarium oxysporum Inhibition 86.0 % 10.1021/jf0632987
Fusarium verticillioides Fusarium verticillioides EC50 2.41 ug.mL-1 10.1016/j.ejmech.2011.07.008
Fusarium verticillioides Fusarium verticillioides GI 61.0 % 10.1016/j.ejmech.2017.09.009
Fusarium verticillioides Fusarium verticillioides GI 79.0 % 10.1016/j.ejmech.2011.07.008
Helminthosporium Helminthosporium MIC 20.0 ug.mL-1 10.1021/np000204t
Homo sapiens Alpha-synuclein Potency 1122.0 nM None
Homo sapiens Aryl hydrocarbon receptor Potency 70794.6 nM None
Homo sapiens Cytochrome P450 3A4 IC50 9289.66 nM 10.1016/j.ejmech.2008.12.004
Homo sapiens Cytochrome P450 3A4 Potency 794.3 nM None
Homo sapiens DNA polymerase iota Potency 89125.1 nM None
Homo sapiens Estrogen receptor alpha Potency 501.2 nM None
Homo sapiens Estrogen receptor alpha Potency 39810.7 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 1995.3 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 19331.2 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 14125.4 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 75.79 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 87.3 % 10.1124/mol.112.084152
Homo sapiens TAR DNA-binding protein 43 Potency 11220.2 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 7.1 nM None
Lasiodiplodia theobromae Lasiodiplodia theobromae GI 80.0 % 10.1016/j.ejmech.2012.06.041
Mycosphaerella arachidis Mycosphaerella arachidis GI 73.4 % 10.1021/jf802429x
Oculimacula yallundae Oculimacula yallundae EC50 7.81 ppm 10.1584/jpestics.27.127
Oculimacula yallundae Oculimacula yallundae MIC 125.0 ppm 10.1584/jpestics.27.127
Penicillium digitatum Cytochrome P450 14alpha-demethylase Activity nan None 10.1021/jf901554x
Penicillium digitatum Cytochrome P450 14alpha-demethylase Kd 420.0 nM 10.1002/ps.2021
Penicillium digitatum Cytochrome P450 14alpha-demethylase Kd 990.0 nM 10.1021/jf901554x
Penicillium digitatum P450 sterol 14-alpha-demethylase IC50 7.72 ug.mL-1 10.1021/jf305355u
Penicillium digitatum P450 sterol 14-alpha-demethylase Kd 0.42 ug ml-1 10.1021/jf305355u
Penicillium digitatum Penicillium digitatum EC50 2.27 ug.mL-1 10.1002/ps.2021
Penicillium digitatum Penicillium digitatum EC50 2.27 ug.mL-1 10.1021/jf901554x
Penicillium digitatum Penicillium digitatum GI 100.0 % 10.1021/jf901554x
Penicillium digitatum Penicillium digitatum IC50 7.72 ug.mL-1 10.1021/jf305355u
Penicillium digitatum Penicillium digitatum Inhibition 0.0 % 10.1021/jf305355u
Penicillium digitatum Penicillium digitatum Inhibition 27.0 % 10.1021/jf305355u
Penicillium digitatum Penicillium digitatum Inhibition 60.0 % 10.1021/jf305355u
Penicillium digitatum Penicillium digitatum Inhibition 100.0 % 10.1021/jf305355u
Plasmodium falciparum Plasmodium falciparum AbsAC35 36.06 uM None
Plasmodium falciparum Plasmodium falciparum AbsAC35 36.63 uM None
Plasmodium falciparum 3D7 HSP40, subfamily A, putative AbsAC1000_uM 4.703 uM None
Podosphaera fuliginea Podosphaera fuliginea Activity 45.8 % 10.1584/jpestics.16.271
Podosphaera fuliginea Podosphaera fuliginea Activity 76.0 % 10.1584/jpestics.16.271
Podosphaera fuliginea Podosphaera fuliginea Activity 98.8 % 10.1584/jpestics.16.271
Podosphaera fuliginea Podosphaera fuliginea Activity 100.0 % 10.1584/jpestics.16.271
Podosphaera fuliginea Podosphaera fuliginea EC50 1.03 10'-2ppm 10.1584/jpestics.16.271
Podosphaera fuliginea Podosphaera fuliginea EC50 1.82 10'-2ppm 10.1584/jpestics.16.271
Podosphaera fuliginea Podosphaera fuliginea EC50 5.7 ppm 10.1584/jpestics.16.271
Podosphaera fuliginea Podosphaera fuliginea EC50 9.72 10'-1ppm 10.1584/jpestics.16.271
Podosphaera fuliginea Podosphaera fuliginea INH 20.0 mm 10.1584/jpestics.27.127
Podosphaera fuliginea Podosphaera fuliginea Inhibition nan % 10.1584/jpestics.27.127
Podosphaera fuliginea Podosphaera fuliginea Ratio EC50 1.8 None 10.1584/jpestics.16.271
Podosphaera fuliginea Podosphaera fuliginea Ratio EC50 94.4 None 10.1584/jpestics.16.271
Podosphaera fuliginea Podosphaera fuliginea Ratio EC50 553.4 None 10.1584/jpestics.16.271
Pyricularia grisea Pyricularia grisea GI 80.0 % 10.1016/j.ejmech.2012.06.041
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 44668.4 nM None
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 50118.7 nM None
Rhizoctonia solani Rhizoctonia solani Activity nan None 10.1021/jf9037369
Rhizoctonia solani Rhizoctonia solani EC50 14.68 ug.mL-1 10.1016/j.bmcl.2011.11.115
Rhizoctonia solani Rhizoctonia solani EC50 20.6 ug.mL-1 10.1016/j.ejmech.2011.07.008
Rhizoctonia solani Rhizoctonia solani EC50 14000.0 nM 10.1021/jf8026843
Rhizoctonia solani Rhizoctonia solani GI 52.0 % 10.1016/j.ejmech.2017.09.009
Rhizoctonia solani Rhizoctonia solani GI 66.0 % 10.1016/j.ejmech.2011.07.008
Rhizoctonia solani Rhizoctonia solani GI 91.0 % 10.1021/jf8026843
Rhizoctonia solani Rhizoctonia solani GI 100.0 % 10.1021/jf8026843
Rhizoctonia solani Rhizoctonia solani Inhibition 40.0 % 10.1016/j.ejmech.2013.04.014
Rhizoctonia solani Rhizoctonia solani Inhibition 90.0 % 10.1016/j.bmc.2006.09.016
Rhizoctonia solani Rhizoctonia solani Inhibition 90.0 % 10.1021/jf0632987
Rhizoctonia solani Rhizoctonia solani Inhibition 91.0 % 10.1016/j.bmcl.2009.09.117
Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) Transcription factor SKN7 AbsAC40_uM 2.02 uM None
Sclerotinia sclerotiorum Sclerotinia sclerotiorum EC50 6.18 ug.mL-1 10.1016/j.ejmech.2011.07.008
Sclerotinia sclerotiorum Sclerotinia sclerotiorum GI 47.0 % 10.1016/j.ejmech.2011.07.008
Sclerotinia sclerotiorum Sclerotinia sclerotiorum GI 61.0 % 10.1016/j.ejmech.2017.09.009
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 22.22 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.04 % 10.6019/CHEMBL4495565
Venturia inaequalis Venturia inaequalis EC50 20.0 ug.mL-1 10.1016/j.ejmech.2011.07.008
Venturia inaequalis Venturia inaequalis GI 42.0 % 10.1016/j.ejmech.2011.07.008
Venturia inaequalis Venturia inaequalis GI 60.0 % 10.1016/j.ejmech.2017.09.009
None Molecular identity unknown Inhibition 55.0 % 10.1016/j.ejmech.2013.04.014
None Molecular identity unknown Inhibition 81.0 % 10.1016/j.ejmech.2013.04.014
None Molecular identity unknown Potency 39810.7 nM None
None Molecular identity unknown Potency 44668.4 nM None
None Unchecked Kd 935.5 nM 10.1016/j.bmcl.2009.03.028

Metabolism Information