Detailed information for compound 1396415

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.495 | Formula: C20H26N2O6S
  • H donors: 2 H acceptors: 3 LogP: 2.11 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)S(=O)(=O)NCCC(=O)NCCOc1ccccc1OC
  • InChi: 1S/C20H26N2O6S/c1-3-27-16-8-10-17(11-9-16)29(24,25)22-13-12-20(23)21-14-15-28-19-7-5-4-6-18(19)26-2/h4-11,22H,3,12-15H2,1-2H3,(H,21,23)
  • InChiKey: UQXOAUYNJLOQTJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0756 0.4234
Brugia malayi nuclear receptor NHR-88 0.0049 0.0945 0.0945
Schistosoma mansoni nuclear hormone receptor 0.0049 0.0945 0.0945
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0497 0.2783
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1048 0.1048
Loa Loa (eye worm) DR-78 0.0049 0.0945 0.0945
Echinococcus granulosus nuclear receptor nhr 48 0.0049 0.0945 0.0945
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0497 0.1681
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.3636 0.3636
Loa Loa (eye worm) glutathione reductase 0.0046 0.0817 0.0817
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1048 0.1048
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Echinococcus multilocularis nuclear receptor nhr 48 0.0049 0.0945 0.0945
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0055 0.1156 0.1156
Brugia malayi MH2 domain containing protein 0.0125 0.3636 0.3636
Loa Loa (eye worm) hypothetical protein 0.0055 0.1156 0.1156
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0049 0.0945 0.0945
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3314 1
Schistosoma mansoni thyroid hormone receptor 0.0104 0.291 0.291
Brugia malayi nuclear hormone receptor 0.0049 0.0945 0.0945
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0049 0.0945 0.0945
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.127 0.127
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0104 0.291 0.291
Onchocerca volvulus Protein ultraspiracle homolog 0.0104 0.291 1
Brugia malayi Inositol-1 0.0037 0.0497 0.0497
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0104 0.291 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.29 0.8751
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0049 0.0945 0.0945
Loa Loa (eye worm) hypothetical protein 0.0032 0.0332 0.0332
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3314 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0104 0.291 0.291
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0106 0.2957 1
Brugia malayi hypothetical protein 0.0049 0.0945 0.0945
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0104 0.291 0.291
Echinococcus granulosus Nuclear hormone receptor HR96 0.0049 0.0945 0.0945
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0104 0.291 0.291
Echinococcus granulosus chromobox protein 1 0.0073 0.1785 0.1785
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0497 0.2783
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0049 0.0945 0.0945
Trypanosoma brucei trypanothione reductase 0.0046 0.0817 0.2765
Loa Loa (eye worm) hypothetical protein 0.0052 0.1048 0.1048
Loa Loa (eye worm) hypothetical protein 0.0093 0.2503 0.2503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0104 0.291 0.291
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3314 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.127 0.127
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0817 0.2467
Schistosoma mansoni chromobox protein 0.0073 0.1785 0.1785
Echinococcus multilocularis thyroid hormone receptor alpha 0.0104 0.291 0.291
Schistosoma mansoni nuclear receptor 0.0049 0.0945 0.0945
Onchocerca volvulus 0.0049 0.0945 0.2382
Schistosoma mansoni hypothetical protein 0.0205 0.6474 0.6474
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.127 0.127
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0104 0.291 0.291
Loa Loa (eye worm) nuclear receptor NHR-67 0.0049 0.0945 0.0945
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0808 0.0808
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.29 0.8751
Schistosoma mansoni zinc finger protein 0.0049 0.0945 0.0945
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0817 0.2765
Echinococcus multilocularis FTZ F1 alpha 0.0104 0.291 0.291
Schistosoma mansoni thyroid hormone receptor 0.0104 0.291 0.291
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.127 0.127
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0808 0.0808
Loa Loa (eye worm) inositol-1 0.0037 0.0497 0.0497
Loa Loa (eye worm) hypothetical protein 0.0093 0.2503 0.2503
Schistosoma mansoni hypothetical protein 0.0036 0.046 0.046
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1048 0.1048
Brugia malayi Thioredoxin reductase 0.0046 0.0817 0.0817
Brugia malayi nuclear receptor NHR-67 0.0049 0.0945 0.0945
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.1785 0.1785
Echinococcus multilocularis chromobox protein 1 0.0073 0.1785 0.1785
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0104 0.291 0.291
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0049 0.0945 0.0945
Schistosoma mansoni nuclear hormone receptor 0.0104 0.291 0.291
Plasmodium vivax glutathione reductase, putative 0.0046 0.0817 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0808 0.0808
Mycobacterium tuberculosis Probable reductase 0.0104 0.29 0.8751
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0055 0.1156 0.1156
Echinococcus granulosus thyroid hormone receptor alpha 0.0049 0.0945 0.0945
Echinococcus multilocularis ecdysone induced protein 78C 0.0104 0.291 0.291
Schistosoma mansoni RAR-like nuclear receptor 0.0104 0.291 0.291
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0104 0.291 0.291
Brugia malayi orphan nuclear receptor NR2E1 0.0049 0.0945 0.0945
Brugia malayi Nuclear hormone receptor-like 1 0.0104 0.291 0.291
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0808 0.0808
Onchocerca volvulus 0.0049 0.0945 0.2382
Brugia malayi jmjC domain containing protein 0.0058 0.127 0.127
Echinococcus granulosus ecdysone induced protein 78C 0.0104 0.291 0.291
Brugia malayi ecdysone receptor 0.0049 0.0945 0.0945
Brugia malayi hypothetical protein 0.0055 0.1156 0.1156
Loa Loa (eye worm) hypothetical protein 0.0104 0.291 0.291
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0104 0.291 0.291
Brugia malayi nuclear hormone receptor 0.0104 0.291 0.291
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0104 0.291 0.291
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0808 0.0808
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0104 0.291 0.291
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0104 0.291 0.291
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0497 1
Brugia malayi Nuclear hormone receptor-like 1 0.0055 0.1156 0.1156
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.127 0.127
Brugia malayi steroid hormone receptor 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0104 0.291 0.291
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0041 0.0646 0.0646
Brugia malayi hypothetical protein 0.0055 0.1156 0.1156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0808 0.0808
Loa Loa (eye worm) hypothetical protein 0.0104 0.291 0.291
Echinococcus granulosus Nuclear hormone receptor HR96 0.0049 0.0945 0.0945
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Echinococcus granulosus FTZ F1 alpha 0.0104 0.291 0.291
Brugia malayi conserved hypotetical protein 0.0049 0.0945 0.0945
Loa Loa (eye worm) hypothetical protein 0.0055 0.1156 0.1156
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0104 0.291 0.291
Loa Loa (eye worm) voltage-dependent calcium channel 0.0106 0.2957 0.2957
Echinococcus granulosus chromobox protein 1 0.0073 0.1785 0.1785
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.046 0.046
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0049 0.0945 0.2382
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0049 0.0945 0.0945
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0104 0.291 0.291
Brugia malayi ecdysteroid receptor 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0036 0.046 0.046
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0049 0.0945 0.0945
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0497 0.1681
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0104 0.291 0.291
Schistosoma mansoni inositol monophosphatase 0.0037 0.0497 0.0497
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0104 0.291 0.291
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.29 0.8751
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0104 0.291 0.291
Echinococcus multilocularis geminin 0.0205 0.6474 0.6474
Loa Loa (eye worm) hypothetical protein 0.0106 0.2957 0.2957
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0104 0.291 0.291
Brugia malayi Heterochromatin protein 1 0.0073 0.1785 0.1785
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0497 0.0497
Brugia malayi tailless protein 0.0049 0.0945 0.0945
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0497 0.1681
Brugia malayi Nuclear hormone receptor E75 0.0049 0.0945 0.0945
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0808 0.0808
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Loa Loa (eye worm) hypothetical protein 0.0055 0.1156 0.1156
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.29 0.8599
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.036 0.1087
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0104 0.291 0.291
Schistosoma mansoni jumonji domain containing protein 0.0058 0.127 0.127
Schistosoma mansoni chromobox protein 0.0073 0.1785 0.1785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0808 0.0808
Loa Loa (eye worm) steroid hormone receptor 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0055 0.1156 0.1156
Brugia malayi nuclear receptor RXR 0.0055 0.1156 0.1156
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0104 0.291 0.291
Toxoplasma gondii thioredoxin reductase 0.0046 0.0817 0.2765
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0249 0.8068 0.8068
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.3636 0.3636
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0497 1
Echinococcus granulosus voltage dependent calcium channel 0.0106 0.2957 0.2957
Schistosoma mansoni hypothetical protein 0.0205 0.6474 0.6474
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0104 0.291 0.291
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0756 0.4234
Schistosoma mansoni nuclear receptor 0.0049 0.0945 0.0945
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0839 0.0839
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0104 0.291 0.291
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0104 0.291 0.291
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0104 0.291 0.291
Loa Loa (eye worm) nuclear hormone receptor 0.0049 0.0945 0.0945
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0049 0.0945 0.0945
Brugia malayi Steroid receptor seven-up type 2 0.0104 0.291 0.291
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0646 0.3616
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0104 0.291 0.291
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0104 0.291 0.291
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0104 0.291 0.291
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0497 0.6079
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3314 1
Schistosoma mansoni nuclear hormone receptor 0.0049 0.0945 0.0945
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0646 0.3616
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0497 0.1681
Onchocerca volvulus Bile acid receptor homolog 0.0104 0.291 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.291 0.291
Brugia malayi glutathione reductase 0.0046 0.0817 0.0817
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0104 0.291 0.291
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0497 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0808 0.0808
Loa Loa (eye worm) hypothetical protein 0.0104 0.291 0.291
Brugia malayi chromobox protein homolog 3 0.0041 0.0646 0.0646
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0106 0.2957 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0104 0.291 0.291
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0104 0.291 0.291
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0049 0.0945 0.0945
Schistosoma mansoni steroid hormone receptor ad4bp 0.0104 0.291 0.291
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.29 0.8751
Schistosoma mansoni nuclear receptor nhr-48 0.0049 0.0945 0.0945
Schistosoma mansoni retinoic acid receptor RXR 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0497 0.2783
Trichomonas vaginalis chromobox protein, putative 0.0073 0.1785 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0839 0.0839
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0497 0.0497
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Brugia malayi nuclear receptor NHR-88 0.0104 0.291 0.291
Brugia malayi photoreceptor-specific nuclear receptor 0.0104 0.291 0.291
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0646 0.1218
Brugia malayi nuclear hormone receptor family member nhr-6 0.0049 0.0945 0.0945
Brugia malayi Nuclear hormone receptor-like 1 0.0055 0.1156 0.1156
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.29 0.8751
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0049 0.0945 0.2382
Brugia malayi Nuclear hormone receptor E75 0.0049 0.0945 0.0945
Plasmodium falciparum thioredoxin reductase 0.0046 0.0817 1
Onchocerca volvulus 0.0104 0.291 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0756 0.1647
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.127 0.127
Brugia malayi nuclear hormone receptor family member odr-7 0.0049 0.0945 0.0945
Brugia malayi jmjC domain containing protein 0.0058 0.127 0.127
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0104 0.291 0.291
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Loa Loa (eye worm) hypothetical protein 0.0055 0.1156 0.1156
Schistosoma mansoni inositol monophosphatase 0.0037 0.0497 0.0497
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0055 0.1156 0.1156
Brugia malayi hypothetical protein 0.0049 0.0945 0.0945
Loa Loa (eye worm) hypothetical protein 0.0049 0.0945 0.0945
Trichomonas vaginalis chromobox protein, putative 0.0073 0.1785 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0104 0.291 0.291
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0104 0.291 0.291
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0104 0.291 0.291
Brugia malayi follicle stimulating hormone receptor 0.0249 0.8068 0.8068
Brugia malayi nuclear receptor RXR 0.0049 0.0945 0.0945
Toxoplasma gondii transporter, cation channel family protein 0.0106 0.2957 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0055 0.1156 0.1156
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.127 0.127
Leishmania major trypanothione reductase 0.0046 0.0817 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0221 0.1238
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0049 0.0945 0.0945
Echinococcus multilocularis chromobox protein 1 0.0073 0.1785 0.1785
Loa Loa (eye worm) hypothetical protein 0.0104 0.291 0.291
Plasmodium falciparum glutathione reductase 0.0046 0.0817 1
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0817 0.0817
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0055 0.1156 0.1156
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0221 0.1238
Loa Loa (eye worm) hypothetical protein 0.0104 0.291 0.291
Echinococcus granulosus geminin 0.0205 0.6474 0.6474
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0817 1
Schistosoma mansoni coup transcription factor 0.0104 0.291 0.291
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0049 0.0945 0.0945
Toxoplasma gondii hypothetical protein 0.0093 0.2503 0.8464

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0474 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1636 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1836 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.