Detailed information for compound 433480

Basic information

Technical information
  • TDR Targets ID: 433480
  • Name: methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin- 4-yl]oxyphenyl]-3-methoxyprop-2-enoate
  • MW: 403.387 | Formula: C22H17N3O5
  • H donors: 0 H acceptors: 4 LogP: 3.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC
  • InChi: 1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
  • InChiKey: WFDXOXNFNRHQEC-GHRIWEEISA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-prop-2-enoate
  • (E)-2-[2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]phenyl]-3-methoxy-2-propenoic acid methyl ester
  • (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-acrylic acid methyl ester
  • azoxystrobin
  • (E)-2-[2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]phenyl]-3-methoxyprop-2-enoic acid methyl ester
  • 215934-32-0
  • 131860-33-8
  • 46160_RIEDEL
  • AZO
  • METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE
  • Amistar
  • Bankit
  • Benzeneacetic acid, 2-((6-(2-cyanophenoxy)-4-pyrimidinyl)oxy)-alpha-(methoxymethylene)-, methyl ester, (E)-
  • EINECS Annex I Index 607-256-00-X
  • HSDB 7017
  • Heritage
  • NCGC00163818-01
  • ICIA-5504
  • Azoxystrobine x
  • Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate
  • Quadris
  • ICI-A 5504
  • methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate
  • Icia 5504

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL No references
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Starlite/ChEMBL No references
Homo sapiens peroxisome proliferator-activated receptor alpha Starlite/ChEMBL No references
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references
Sus scrofa Cytochrome b Starlite/ChEMBL References
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni cytochrome b Get druggable targets OG5_128504 All targets in OG5_128504
Schistosoma japonicum IPR008946,Nuclear receptor, ligand-binding,domain-containing Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium falciparum cytochrome b Get druggable targets OG5_128504 All targets in OG5_128504
Echinococcus granulosus cytochrome B Get druggable targets OG5_128504 All targets in OG5_128504
Plasmodium knowlesi cytochrome b Get druggable targets OG5_128504 All targets in OG5_128504
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Mycobacterium ulcerans ubiquinol-cytochrome C reductase QcrB Get druggable targets OG5_128504 All targets in OG5_128504
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex Get druggable targets OG5_128504 All targets in OG5_128504
Schistosoma japonicum ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative Get druggable targets OG5_137778 All targets in OG5_137778
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium yoelii Cytochrome b, putative Get druggable targets OG5_128504 All targets in OG5_128504
Onchocerca volvulus Get druggable targets OG5_128504 All targets in OG5_128504
Schistosoma mansoni nuclear hormone receptor superfamily protein-related Get druggable targets OG5_137778 All targets in OG5_137778
Plasmodium yoelii Cytochrome b, putative Get druggable targets OG5_128504 All targets in OG5_128504
Mycobacterium tuberculosis Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) Get druggable targets OG5_128504 All targets in OG5_128504
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K00412 ubiquinol-cytochrome c reductase cytochrome b subunit, putative Get druggable targets OG5_128504 All targets in OG5_128504
Babesia bovis cytochrome b Get druggable targets OG5_128504 All targets in OG5_128504
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium vivax cytochrome b Get druggable targets OG5_128504 All targets in OG5_128504
Toxoplasma gondii cytochrome b Get druggable targets OG5_128504 All targets in OG5_128504
Theileria parva cytochrome b Get druggable targets OG5_128504 All targets in OG5_128504
Plasmodium berghei cytochrome b Get druggable targets OG5_128504 All targets in OG5_128504
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium yoelii Cytochrome b, putative Get druggable targets OG5_128504 All targets in OG5_128504
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Toxoplasma gondii apocytochrome b, putative Get druggable targets OG5_128504 All targets in OG5_128504
Toxoplasma gondii apocytochrome b, putative Get druggable targets OG5_128504 All targets in OG5_128504
Mycobacterium leprae Probable Ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) Get druggable targets OG5_128504 All targets in OG5_128504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein Nuclear receptor subfamily 1 group I member 2   431 aa 400 aa 29.8 %
Brugia malayi photoreceptor-specific nuclear receptor Nuclear receptor subfamily 1 group I member 2   431 aa 378 aa 25.1 %
Schistosoma mansoni retinoic acid receptor RXR Nuclear receptor subfamily 1 group I member 2   431 aa 412 aa 25.5 %
Schistosoma japonicum Probable nuclear hormone receptor HR3, putative Nuclear receptor subfamily 1 group I member 2   431 aa 487 aa 24.4 %
Onchocerca volvulus C-mannosyltransferase dpy-19 homolog Nuclear receptor subfamily 1 group I member 2   431 aa 397 aa 29.2 %
Loa Loa (eye worm) hypothetical protein Nuclear receptor subfamily 1 group I member 2   431 aa 381 aa 26.2 %
Echinococcus multilocularis ecdysone induced protein 78C Nuclear receptor subfamily 1 group I member 2   431 aa 348 aa 28.2 %
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 Nuclear receptor subfamily 1 group I member 2   431 aa 440 aa 23.0 %
Echinococcus granulosus ecdysone induced protein 78C Nuclear receptor subfamily 1 group I member 2   431 aa 348 aa 28.2 %
Onchocerca volvulus Nuclear receptor subfamily 1 group I member 2   431 aa 390 aa 24.6 %
Loa Loa (eye worm) hypothetical protein Nuclear receptor subfamily 1 group I member 2   431 aa 417 aa 24.0 %
Onchocerca volvulus Nuclear receptor subfamily 1 group I member 2   431 aa 379 aa 24.5 %
Onchocerca volvulus Nuclear receptor subfamily 1 group I member 2   431 aa 424 aa 24.1 %
Brugia malayi ecdysteroid receptor Nuclear receptor subfamily 1 group I member 2   431 aa 394 aa 26.9 %
Brugia malayi nuclear hormone receptor Nuclear receptor subfamily 1 group I member 2   431 aa 394 aa 26.4 %
Brugia malayi Nuclear hormone receptor E75 Nuclear receptor subfamily 1 group I member 2   431 aa 359 aa 22.0 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor alpha 468 aa 397 aa 25.4 %
Loa Loa (eye worm) hypothetical protein Nuclear receptor subfamily 1 group I member 2   431 aa 378 aa 25.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0065 0.025 0.025
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0919 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.025 0.1145
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Loa Loa (eye worm) hypothetical protein 0.0234 0.2182 1
Plasmodium vivax cytochrome b 0.0083 0.0447 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0065 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0065 0.025 0.025
Brugia malayi nuclear hormone receptor 0.0065 0.025 0.1145
Echinococcus granulosus sodium:myo inositol cotransporter 0.0919 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.025 0.1145
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0065 0.025 0.1145
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0234 0.2182 0.2182
Schistosoma mansoni cytochrome b 0.0083 0.0447 0.0447
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0065 0.025 0.0808
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0065 0.025 0.025
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0065 0.025 0.025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0065 0.025 0.0808
Schistosoma mansoni RAR-like nuclear receptor 0.0065 0.025 0.025
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.124 0.124
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0065 0.025 0.025
Schistosoma mansoni thyroid hormone receptor 0.0217 0.1987 0.1987
Echinococcus multilocularis high affinity choline transporter 1 0.0234 0.2182 0.2182
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 0.025 0.025
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0065 0.025 0.025
Brugia malayi Steroid receptor seven-up type 2 0.0065 0.025 0.1145
Loa Loa (eye worm) steroid hormone receptor 0.0065 0.025 0.0808
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.124 0.124
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0065 0.025 0.1145
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0065 0.025 0.1145
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0065 0.025 0.025
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0234 0.2182 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0065 0.025 0.1145
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0065 0.025 0.025
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0065 0.025 0.025
Echinococcus granulosus high affinity choline transporter 1 0.0234 0.2182 0.2182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0065 0.025 0.0808
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0065 0.025 0.025
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 0.025 0.025
Onchocerca volvulus 0.0293 0.2855 1
Mycobacterium leprae Probable Ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.0293 0.2855 0.5
Brugia malayi Sodium:solute symporter family protein 0.0234 0.2182 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.052 0.052
Schistosoma mansoni nuclear hormone receptor 0.0065 0.025 0.025
Echinococcus multilocularis FTZ F1 alpha 0.0065 0.025 0.025
Schistosoma mansoni cytochrome b 0.005 0.008 0.008
Schistosoma mansoni coup transcription factor 0.0065 0.025 0.025
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0065 0.025 0.025
Schistosoma mansoni thyroid hormone receptor 0.0217 0.1987 0.1987
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0447 0.4616 0.4616
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Schistosoma mansoni retinoic acid receptor RXR 0.0065 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Echinococcus granulosus cytochrome B 0.0083 0.0447 0.0447
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0065 0.025 0.0808
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0234 0.2182 0.2182
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Brugia malayi steroid hormone receptor 0.0065 0.025 0.1145
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0065 0.025 0.1145
Mycobacterium ulcerans ubiquinol-cytochrome C reductase QcrB 0.0293 0.2855 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0065 0.025 0.1145
Schistosoma mansoni steroid hormone receptor ad4bp 0.0065 0.025 0.025
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0065 0.025 0.025
Mycobacterium tuberculosis Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.0293 0.2855 0.5
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Schistosoma mansoni hypothetical protein 0.0152 0.124 0.124
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.025 0.1145
Brugia malayi cytochrome b 0.005 0.008 0.0367
Onchocerca volvulus 0.0234 0.2182 0.7416
Echinococcus granulosus sodium:glucose cotransporter 2 0.0919 1 1
Echinococcus multilocularis solute carrier family 5 0.0919 1 1
Schistosoma mansoni sodium/solute symporter 0.0234 0.2182 0.2182
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.052 0.052
Echinococcus multilocularis thyroid hormone receptor alpha 0.0217 0.1987 0.1987
Loa Loa (eye worm) hypothetical protein 0.0065 0.025 0.0808
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0083 0.0447 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0065 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0234 0.2182 1
Brugia malayi ecdysteroid receptor 0.0065 0.025 0.1145
Brugia malayi Nuclear hormone receptor-like 1 0.0065 0.025 0.1145
Schistosoma mansoni inositol transporter 0.0919 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0065 0.025 0.1145
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0065 0.025 0.025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0065 0.025 0.0808
Echinococcus granulosus FTZ F1 alpha 0.0065 0.025 0.025
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.025 0.1145
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.025 0.1145
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0065 0.025 0.0808
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0065 0.025 0.0808
Plasmodium falciparum cytochrome b 0.0083 0.0447 0.5
Echinococcus granulosus solute carrier family 5 0.0919 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0065 0.025 0.1145
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0919 1 1
Brugia malayi GH02984p 0.0234 0.2182 1
Schistosoma mansoni inositol transporter 0.0919 1 1
Brugia malayi nuclear receptor NHR-88 0.0065 0.025 0.1145
Echinococcus multilocularis ecdysone induced protein 78C 0.0065 0.025 0.025
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.025 0.1145
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 0.025 0.025
Echinococcus granulosus ecdysone induced protein 78C 0.0065 0.025 0.025
Schistosoma mansoni high-affinity choline transporter 0.0234 0.2182 0.2182
Entamoeba histolytica hypothetical protein 0.0043 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Fungistatic activity against Fusarium oxysporum at 30 uM after 72 hrs by microtiter plate assay ChEMBL. 17696332
Activity (functional) 0 Fungistatic activity against Fusarium proliferatum at 30 uM after 72 hrs by microtiter plate assay ChEMBL. 17696332
Activity (functional) 0 Fungistatic activity against Fusarium solani at 30 uM after 72 hrs by microtiter plate assay ChEMBL. 17696332
Activity (functional) = 2 mm Effect on growth of Raphanus sativus assessed as length of hypocotyl at 50 ug/mL by seed germination assay ChEMBL. 17300931
IC50 (functional) = 0.03 uM Antimalarial activity: Asexual Blood Stage Plasmodium falciparum W2 IC50 (uM) ChEMBL. No reference
IC50 (functional) = 0.05 uM Antimalarial activity: Asexual Blood Stage Plasmodium falciparum 3D7 IC50 (uM) ChEMBL. No reference
IC50 (functional) = 0.09 uM Antimalarial activity: Asexual Blood Stage Plasmodium falciparum Dd2 IC50 (uM) ChEMBL. No reference
IC50 (functional) = 3.256 uM DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro. ChEMBL. No reference
IC90 (functional) = 8.681 uM DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro. ChEMBL. No reference
Inhibition (binding) Compound was evaluated for the inhibition of human FECH at 10uM MMV_PBOX. No reference
Inhibition (functional) = 0 % Antimicrobial activity against Fusarium proliferatum at 0.3 uM after 48 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 0 % Antimicrobial activity against Fusarium proliferatum at 0.3 uM after 72 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 3 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 7 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 7.1 % Antimicrobial activity against Fusarium oxysporum at 3 uM after 72 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 11.7 % Antimicrobial activity against Fusarium solani at 0.3 uM after 72 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 14.8 % Antimicrobial activity against Fusarium proliferatum at 3 uM after 72 hrs by mircotiter assay ChEMBL. 17696332
Inhibition (functional) = 15 % Antimicrobial activity against Fusarium solani at 3 uM after 72 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 15.3 % Antimicrobial activity against Fusarium oxysporum at 0.3 uM after 72 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 16.6 % Antimicrobial activity against Fusarium solani at 0.3 uM after 48 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 21.7 % Antimicrobial activity against Fusarium proliferatum at 3 uM after 48 hrs by mircotiter assay ChEMBL. 17696332
Inhibition (functional) = 22.7 % Antimicrobial activity against Fusarium oxysporum at 0.3 uM after 48 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 25.3 % Antimicrobial activity against Fusarium solani at 3 uM after 48 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 32.3 % Antimicrobial activity against Fusarium oxysporum at 3 uM after 48 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 32.9 % Antimicrobial activity against Fusarium oxysporum at 30 uM after 72 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 37 % HepG2 inhibition at 10 uM (%) Cytotoxicity ChEMBL. No reference
Inhibition (functional) = 40.7 % Antimicrobial activity against Fusarium proliferatum at 30 uM after 72 hrs by mircotiter assay ChEMBL. 17696332
Inhibition (functional) = 51.7 % Antimicrobial activity against Fusarium solani at 30 uM after 72 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 53 % Antimicrobial activity against Fusarium proliferatum at 30 uM after 48 hrs by mircotiter assay ChEMBL. 17696332
Inhibition (functional) = 62.7 % Antimicrobial activity against Fusarium solani at 30 uM after 48 hrs by mircotiter assay ChEMBL. 17696332
Inhibition (functional) = 77.2 % Antimicrobial activity against Fusarium oxysporum at 30 uM after 48 hrs by microtiter assay ChEMBL. 17696332
Inhibition (functional) = 98 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 98 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 32.55 uM Antimalarial activity: Gametocytes Plasmodium falciparum NF54 Gametocytes Stage V: inhibition at 10 uM (%) ChEMBL. No reference
Inhibition (functional) = 97 uM Antimalarial activity: Liver Stage Plasmodium berghei sporozoite Luciferase assay: inhibition at 10 uM (%) ChEMBL. No reference
Inhibition frequency index (IFI) (functional) = 6.5 Inhibition Frequency Index (IFI) GSK. 20485427
IZ (functional) = 6.5 mm Growth inhibition of Verticillium lamellicola at 50 ug/mL ChEMBL. 17300931
Ki (binding) = 297.6 nM Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis ChEMBL. 19928849
Percent growth inhibition (functional) = 3 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 7 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 98 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 98 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
Potency (functional) 0.0126 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of thyroid hormone receptor beta signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS assay for small molecule activators of the rat pregnane X receptor (rPXR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5954 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6153 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2881 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.6854 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS assay for small molecule agonists of the peroxisome proliferator-activated receptor alpha (PPARalpha) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of androgen receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.1775 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of estrogen receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of farnesoid X receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of estrogen receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of glucocorticoid receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 58.6042 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 65.7549 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 65.7549 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
XC50 (functional) = 7.39 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.04046 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma cruzi ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

3 literature references were collected for this gene.

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