Detailed information for compound 1379267

Basic information

Technical information
  • TDR Targets ID: 1379267
  • Name: AK-968/41170638
  • MW: 396.478 | Formula: C22H21FN2O2S
  • H donors: 0 H acceptors: 3 LogP: 4.36 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1nc(sc1C)N1C(=O)C2C(C1=O)C1C(=C(C)C)C2CC1
  • InChi: 1S/C22H21FN2O2S/c1-10(2)16-14-8-9-15(16)18-17(14)20(26)25(21(18)27)22-24-19(11(3)28-22)12-4-6-13(23)7-5-12/h4-7,14-15,17-18H,8-9H2,1-3H3
  • InChiKey: MXZBUTLPJRKJDV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
  • MLS000324814
  • SMR000159979

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 GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis ap endonuclease, putative 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax thioredoxin reductase, putative 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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei thioredoxin reductase, putative 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
Leishmania braziliensis 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 major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii exonuclease III APE 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
Plasmodium berghei glutathione reductase, putative 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis thiodoxin 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 falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis trypanothione reductase 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania mexicana 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) thioredoxin reductase 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
Toxoplasma gondii thioredoxin 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis thioredoxin 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
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
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 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0068 0.0256
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0099 0.0374
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0099 0.0099
Schistosoma mansoni hypothetical protein 0.0205 0.3441 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0705 0.0705
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.2062 0.7749
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0671 0.0671
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0705 0.2618
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0068 0.0205
Brugia malayi nuclear hormone receptor 0.0024 0.0099 0.0374
Trypanosoma brucei trypanothione reductase 0.0057 0.0705 0.2618
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0374
Echinococcus multilocularis neuropeptide s receptor 0.0558 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0374
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0099 0.0099
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0099 0.0374
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.2331 0.453
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0374
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.2062 0.7749
Brugia malayi Thioredoxin reductase 0.0057 0.0705 0.2656
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0099 0.0099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0099 0.0374
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0162 0.2657 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0099 0.0289
Schistosoma mansoni coup transcription factor 0.0024 0.0099 0.0289
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0068 0.0205
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0068 0.0256
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0014 0.0014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0099 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0099 0.0374
Plasmodium falciparum proteasome subunit beta type-5 0.0162 0.2657 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0099 0.0374
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0671 0.195
Toxoplasma gondii thioredoxin reductase 0.0057 0.0705 0.2618
Brugia malayi steroid hormone receptor 0.0024 0.0099 0.0374
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0162 0.2657 0.7721
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0014 0.004
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.2331 0.8769
Echinococcus multilocularis proteasome (prosome, macropain) 0.0162 0.2657 0.2657
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0763 0.2872
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0763 0.2872
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0705 0.2618
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0099 0.0374
Brugia malayi Proteasome A-type and B-type family protein 0.0162 0.2657 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0671 0.0671
Onchocerca volvulus Bile acid receptor homolog 0.0024 0.0099 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.2062 0.7749
Plasmodium vivax proteasome subunit beta type-5, putative 0.0162 0.2657 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0014 0.0014
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 0.0099 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0068 0.0205
Echinococcus granulosus geminin 0.0205 0.3441 0.3441
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.2062 0.7749
Toxoplasma gondii exonuclease III APE 0.0023 0.0068 0.0205
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0099 0.0374
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0068 0.0205
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0099 0.0374
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0068 0.0205
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.0099 0.0099
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0099 0.0099
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.006 0.0763 0.2872
Plasmodium vivax glutathione reductase, putative 0.0057 0.0705 0.2618
Echinococcus granulosus neuropeptide receptor A26 0.0558 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0099 0.0374
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0374
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0099 0.0374
Echinococcus multilocularis neuropeptide receptor A26 0.0558 1 1
Plasmodium falciparum glutathione reductase 0.0057 0.0705 0.2618
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0068 0.0205
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0099 0.0289
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0162 0.2657 1
Schistosoma mansoni hypothetical protein 0.0041 0.041 0.1191
Schistosoma mansoni hypothetical protein 0.0205 0.3441 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0099 0.0289
Schistosoma mansoni ap endonuclease 0.0023 0.0068 0.0197
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0099 0.0374
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0099 0.0099
Leishmania major proteasome beta 5 subunit, putative 0.0162 0.2657 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0162 0.2657 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.2062 0.7749
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0671 0.2526
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0705 0.2656
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0099 0.0099
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0162 0.2657 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.0705 0.2618
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0099 0.0289
Brugia malayi glutathione reductase 0.0057 0.0705 0.2656
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0099 0.0289
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0068 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0162 0.2657 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0099 0.0374
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0374
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0099 0.0099
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0068 0.0068
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.2331 0.8769
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0099 0.0374
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0099 0.0099
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0099 0.0099
Echinococcus granulosus proteasome prosome macropain 0.0162 0.2657 0.2657
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0099 0.0374
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0099 0.0374
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0099 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0099 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0099 0.0374
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0068 0.0205
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0099 0.0289
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0099 0.0289
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0068 0.0205
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0374
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0099 0.0374
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0162 0.2657 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0671 0.195
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0374
Mycobacterium tuberculosis Probable reductase 0.013 0.2062 0.7749
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0068 0.0068
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 0.0099 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0099 0.0289
Brugia malayi ecdysteroid receptor 0.0024 0.0099 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0099 0.0374
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0068 1
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0705 0.2618
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0099 0.0099
Schistosoma mansoni ap endonuclease 0.0023 0.0068 0.0197
Brugia malayi nuclear receptor NHR-88 0.0024 0.0099 0.0374
Leishmania major trypanothione reductase 0.0057 0.0705 0.2618
Loa Loa (eye worm) hypothetical protein 0.0041 0.041 0.1543
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0099 0.0099
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0099 0.0099
Loa Loa (eye worm) glutathione reductase 0.0057 0.0705 0.2656
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0162 0.2657 1
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0099 0.0374
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0162 0.2657 1
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0099 0.0289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0099 0.0374
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0068 0.0205
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0162 0.2657 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0671 0.195
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0068 0.0205
Echinococcus multilocularis geminin 0.0205 0.3441 0.3441
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0099 0.0289
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0763 0.2872
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0162 0.2657 1
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0099 0.0289
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.041 0.1543
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0099 0.0099
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.2331 0.8769
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0014 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0671 0.0671
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0068 0.0205
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0671 0.2526
Onchocerca volvulus 0.0024 0.0099 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0099 0.0374
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0671 0.0671
Mycobacterium ulcerans proteasome PrcB 0.0162 0.2657 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0099 0.0099
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0099 0.0289
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0099 0.0099
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0705 0.0705
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0014 0.0052

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2936 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 11.5821 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) 14.1254 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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

No literature references available for this target.

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