Detailed information for compound 1386794

Basic information

Technical information
  • TDR Targets ID: 1386794
  • Name: 4-(3-chlorophenyl)-N-(2-norbornyl)piperazine- 1-carbothioamide
  • MW: 349.921 | Formula: C18H24ClN3S
  • H donors: 1 H acceptors: 0 LogP: 4.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1CCN(CC1)C(=S)NC1CC2CC1CC2
  • InChi: 1S/C18H24ClN3S/c19-15-2-1-3-16(12-15)21-6-8-22(9-7-21)18(23)20-17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2,(H,20,23)
  • InChiKey: ISSFEBVKYUYWBG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS001006911
  • SMR000384354
  • T0520-1708

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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 gambiense apurinic/apyrimidinic endonuclease, putative 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Cryptosporidium parvum conserved hypothetical protein 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica exodeoxyribonuclease III, 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
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
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 phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
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 ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0574 0.6761 0.8958
Brugia malayi Thioredoxin reductase 0.0257 0.2804 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0179 0.1838 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0095 0.0786 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0095 0.0786 0.2803
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.1236 0.4407
Entamoeba histolytica hypothetical protein 0.0043 0.014 0.076
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.004 0.0142
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1236 0.6725
Schistosoma mansoni hypothetical protein 0.0043 0.014 0.014
Brugia malayi glutathione reductase 0.0257 0.2804 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0095 0.0786 0.1042
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0349 0.1244
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0095 0.0786 0.4278
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0111 0.0396
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0287 0.0287
Trichomonas vaginalis glutathione reductase, putative 0.0095 0.0786 0.4278
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1236 0.6725
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0287 0.0287
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0637 0.7547 1
Treponema pallidum NADH oxidase 0.0095 0.0786 0.4278
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0095 0.0786 0.4151
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.1236 0.6725
Toxoplasma gondii thioredoxin reductase 0.0257 0.2804 1
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.004 0.0142
Trypanosoma cruzi trypanothione reductase, putative 0.0095 0.0786 0.2803
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0095 0.0786 0.4278
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.004 0.0142
Trypanosoma cruzi trypanothione reductase, putative 0.0257 0.2804 1
Entamoeba histolytica hypothetical protein 0.0043 0.014 0.076
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0095 0.0786 0.0786
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1236 0.6725
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.004 0.0217
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0095 0.0786 0.0786
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0574 0.6761 0.8958
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0179 0.1838 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.004 0.0217
Schistosoma mansoni hypothetical protein 0.0205 0.2152 0.2152
Trypanosoma brucei trypanothione reductase 0.0257 0.2804 1
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0179 0.1838 0.2435
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.1236 0.4407
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0095 0.0786 0.4278
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0095 0.0786 0.0786
Brugia malayi MH2 domain containing protein 0.0144 0.1397 0.4981
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.1236 0.1637
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0287 0.0287
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0574 0.6761 0.8958
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.1236 0.4407
Plasmodium vivax glutathione reductase, putative 0.0257 0.2804 1
Loa Loa (eye worm) glutathione reductase 0.0257 0.2804 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1236 0.6725
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0095 0.0786 0.4278
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.014 0.014
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.004 0.0217
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0095 0.0786 0.2803
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0095 0.0786 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0095 0.0786 0.2803
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0349 0.1244
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.004 0.0217
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1236 0.6725
Giardia lamblia Thioredoxin reductase 0.0179 0.1838 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0095 0.0786 0.2803
Brugia malayi hypothetical protein 0.0043 0.014 0.0498
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.004 0.0217
Echinococcus granulosus geminin 0.0205 0.2152 0.2152
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0095 0.0786 0.2803
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0637 0.7547 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0063 0.0383 0.1367
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.1236 0.1236
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0095 0.0786 0.2803
Mycobacterium tuberculosis Probable dehydrogenase 0.0574 0.6761 0.8958
Loa Loa (eye worm) hypothetical protein 0.006 0.0349 0.1244
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1397 0.4981
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0287 0.1023
Plasmodium falciparum thioredoxin reductase 0.0095 0.0786 0.2803
Schistosoma mansoni hypothetical protein 0.0041 0.0111 0.0111
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0179 0.1838 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0095 0.0786 0.2803
Entamoeba histolytica hypothetical protein 0.0043 0.014 0.076
Toxoplasma gondii NADPH-glutathione reductase 0.0095 0.0786 0.2803
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0179 0.1838 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0287 0.0287
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0179 0.1838 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0095 0.0786 0.2803
Mycobacterium tuberculosis Probable oxidoreductase 0.0637 0.7547 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.004 0.0142
Onchocerca volvulus 0.0032 0 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0095 0.0786 0.2803
Echinococcus multilocularis geminin 0.0205 0.2152 0.2152
Plasmodium vivax thioredoxin reductase, putative 0.0257 0.2804 1
Brugia malayi 6-phosphofructokinase 0.0131 0.1236 0.4407
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0287 0.0287
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0095 0.0786 0.2803
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.014 0.014
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0179 0.1838 0.2435
Mycobacterium tuberculosis Probable reductase 0.0574 0.6761 0.8958
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1236 0.6725
Plasmodium falciparum thioredoxin reductase 0.0257 0.2804 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0095 0.0786 0.2803
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.1236 0.1236
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0095 0.0786 0.2803
Echinococcus granulosus thioredoxin glutathione reductase 0.0257 0.2804 0.2804
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0111 0.0396
Plasmodium falciparum glutathione reductase 0.0095 0.0786 0.2803
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0095 0.0786 0.2803
Loa Loa (eye worm) phosphofructokinase 0.0131 0.1236 0.4407
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0349 0.1244
Loa Loa (eye worm) thioredoxin reductase 0.0257 0.2804 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.004 0.0142
Entamoeba histolytica thioredoxin reductase, putative 0.0179 0.1838 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0095 0.0786 0.2803
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.014 0.014
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.004 0.0217
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0574 0.6761 0.8958
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0179 0.1838 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.004 0.0217
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.1236 0.4407
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.1236 0.4407
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.1236 0.6725
Brugia malayi phosphofructokinase 0.0131 0.1236 0.4407
Treponema pallidum thioredoxin reductase (trxB) 0.0179 0.1838 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0637 0.7547 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0095 0.0786 0.2803
Giardia lamblia NADH oxidase lateral transfer candidate 0.0095 0.0786 0.4278
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0574 0.6761 0.8958
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.004 0.0217
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.004 0.0217
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0179 0.1838 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.1236 0.1637
Schistosoma mansoni hypothetical protein 0.0205 0.2152 0.2152
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0095 0.0786 0.2803
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0287 0.0287
Plasmodium falciparum glutathione reductase 0.0257 0.2804 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.1236 0.1236
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0063 0.0383 0.1367
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.004 0.0142
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.004 0.0142
Leishmania major trypanothione reductase 0.0257 0.2804 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1397 0.4981
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0287 0.1023
Chlamydia trachomatis thioredoxin reductase 0.0179 0.1838 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0095 0.0786 0.2803
Entamoeba histolytica hypothetical protein 0.0043 0.014 0.076
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0095 0.0786 0.4278
Trichomonas vaginalis mercuric reductase, putative 0.0095 0.0786 0.4278
Brugia malayi 6-phosphofructokinase 0.0131 0.1236 0.4407
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.004 0.0217
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0095 0.0786 0.2803
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0257 0.2804 0.3716
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0287 0.0287
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0095 0.0786 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.0257 0.2804 0.2804
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0095 0.0786 0.2803
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1236 0.6725
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.1236 0.1236

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.02 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9093 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) = 5.0119 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 16.3601 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 17.7828 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) 19.0115 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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