Detailed information for compound 980337

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 494.196 | Formula: C20H20Cl4N2O4
  • H donors: 4 H acceptors: 3 LogP: 4.24 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H]1O[C@@H]([C@H]([C@@H]1O)O)CNCc1ccc(c(c1)Cl)Cl)NCc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C20H20Cl4N2O4/c21-12-3-1-10(5-14(12)23)7-25-9-16-17(27)18(28)19(30-16)20(29)26-8-11-2-4-13(22)15(24)6-11/h1-6,16-19,25,27-28H,7-9H2,(H,26,29)/t16-,17-,18+,19+/m1/s1
  • InChiKey: DQUJBNUUSJXMAB-YRXWBPOGSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) beta-lactamase 0.0035 0.0544 0.0669
Brugia malayi glutaminase DH11.1 0.0265 0.6074 0.7476
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.034 0.7881 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0544 0.069
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0405 0.0405
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.326 0.4012
Loa Loa (eye worm) hypothetical protein 0.0029 0.0405 0.0499
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0034 0.0524 0.0645
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0046 0.0821 0.2803
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.2968 0.3841
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0046 0.0821 0.2803
Plasmodium vivax glutathione reductase, putative 0.0134 0.2928 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0635 1
Trichomonas vaginalis esterase, putative 0.0035 0.0544 0.0895
Toxoplasma gondii exonuclease III APE 0.0018 0.0146 0.0497
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0046 0.0821 0.2803
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0146 0.0185
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.5072 0.6436
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.0669
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0405 0.0405
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0405 0.0524
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0046 0.0821 0.2803
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0046 0.0821 0.0821
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0146 0.0497
Onchocerca volvulus 0.0035 0.0544 0.0669
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.034 0.7881 1
Onchocerca volvulus 0.035 0.8125 1
Mycobacterium ulcerans glutaminase 0.0265 0.6074 1
Brugia malayi MH1 domain containing protein 0.0016 0.0083 0.0102
Schistosoma mansoni smad1 5 8 and 0.0016 0.0083 0.0083
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0544 0.0544
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0306 0.706 0.8958
Schistosoma mansoni hypothetical protein 0.0047 0.0829 0.0829
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0083 0.0102
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0878 0.0878
Echinococcus multilocularis thioredoxin glutathione reductase 0.0135 0.294 0.3805
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.316 0.316
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0544 0.0669
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0146 0.024
Toxoplasma gondii thioredoxin reductase 0.0134 0.2928 1
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.2134 0.2627
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.2968 0.3653
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.072 0.1185
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0405 0.0405
Trichomonas vaginalis mercuric reductase, putative 0.0046 0.0821 0.1351
Toxoplasma gondii ABC1 family protein 0.0035 0.0544 0.1857
Echinococcus multilocularis GPCR, family 2 0.0047 0.0829 0.1072
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0829 0.1072
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0146 0.1773
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0405 0.0524
Echinococcus granulosus tumor protein p63 0.0334 0.7727 1
Mycobacterium tuberculosis Probable reductase 0.0306 0.706 0.8958
Brugia malayi MH2 domain containing protein 0.0232 0.5272 0.6489
Trypanosoma brucei trypanothione reductase 0.0134 0.2928 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0146 0.0497
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.0669
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0829 0.102
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.072 0.2458
Echinococcus granulosus geminin 0.0166 0.37 0.4789
Schistosoma mansoni hypothetical protein 0.0047 0.0829 0.0829
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.072 0.2458
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0829 0.1072
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0146 0.024
Schistosoma mansoni ap endonuclease 0.0018 0.0146 0.0146
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0544 0.069
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0046 0.0821 0.2803
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0146 0.0188
Echinococcus granulosus Smad4 0.0016 0.0083 0.0107
Leishmania major hypothetical protein, conserved 0.0035 0.0544 0.1857
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0829 0.1072
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0046 0.0821 0.2803
Loa Loa (eye worm) glutaminase 2 0.0265 0.6074 0.7476
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0544 0.1857
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.072 0.1185
Mycobacterium tuberculosis Conserved protein 0.0035 0.0544 0.069
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.2968 0.3841
Loa Loa (eye worm) glutaminase 0.0265 0.6074 0.7476
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0046 0.0821 0.2803
Onchocerca volvulus 0.0232 0.5272 0.6489
Brugia malayi Smad1 0.0016 0.0083 0.0102
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0544 0.069
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0405 0.1384
Schistosoma mansoni hypothetical protein 0.0047 0.0829 0.0829
Loa Loa (eye worm) acetyltransferase 0.0144 0.316 0.3889
Plasmodium falciparum glutathione reductase 0.0134 0.2928 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0544 0.069
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0544 0.0544
Trichomonas vaginalis glutathione reductase, putative 0.0046 0.0821 0.1351
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0635 0.7738
Loa Loa (eye worm) thioredoxin reductase 0.0134 0.2928 0.3604
Brugia malayi beta-lactamase family protein 0.0035 0.0544 0.0669
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.072 0.0932
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0046 0.0821 0.1351
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0306 0.706 0.8958
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0046 0.0821 1
Schistosoma mansoni hypothetical protein 0.0166 0.37 0.37
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0046 0.0821 0.2803
Brugia malayi hypothetical protein 0.035 0.8125 1
Trichomonas vaginalis glutaminase, putative 0.0265 0.6074 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0046 0.0821 0.1351
Loa Loa (eye worm) glutathione reductase 0.0134 0.2928 0.3604
Trypanosoma cruzi trypanothione reductase, putative 0.0134 0.2928 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0405 0.0499
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0306 0.706 0.8958
Brugia malayi beta-lactamase 0.0035 0.0544 0.0669
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0046 0.0821 0.2803
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0046 0.0821 0.1351
Mycobacterium ulcerans lipase LipD 0.0035 0.0544 0.0895
Toxoplasma gondii NADPH-glutathione reductase 0.0046 0.0821 0.2803
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0146 0.0497
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0146 0.0179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.2968 0.3841
Onchocerca volvulus 0.0035 0.0544 0.0669
Giardia lamblia NADH oxidase lateral transfer candidate 0.0046 0.0821 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0306 0.706 0.8958
Loa Loa (eye worm) hypothetical protein 0.0188 0.4236 0.5214
Onchocerca volvulus 0.0049 0.0878 0.108
Brugia malayi Thioredoxin reductase 0.0134 0.2928 0.3604
Treponema pallidum NADH oxidase 0.0046 0.0821 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0034 0.0524 0.0645
Loa Loa (eye worm) transcription factor SMAD2 0.0232 0.5272 0.6489
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0083 0.0102
Plasmodium falciparum glutathione reductase 0.0046 0.0821 0.2803
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0146 0.024
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0134 0.2928 0.3716
Mycobacterium ulcerans hypothetical protein 0.0035 0.0544 0.0895
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0146 0.0188
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.316 0.3889
Loa Loa (eye worm) hypothetical protein 0.0101 0.2134 0.2627
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.3063 0.3964
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0544 0.069
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0146 0.0179
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0544 0.069
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0635 0.2169
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0544 0.0895
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0046 0.0821 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0544 0.0704
Mycobacterium tuberculosis Probable dehydrogenase 0.0306 0.706 0.8958
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0544 0.1857
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0829 0.102
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0146 0.1773
Schistosoma mansoni glutaminase 0.0265 0.6074 0.6074
Loa Loa (eye worm) hypothetical protein 0.0148 0.326 0.4012
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.0669
Schistosoma mansoni smad1 5 8 and 0.0016 0.0083 0.0083
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0544 0.1857
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0083 0.0107
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0544 0.0895
Schistosoma mansoni ap endonuclease 0.0018 0.0146 0.0146
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.326 0.4012
Mycobacterium tuberculosis Probable oxidoreductase 0.034 0.7881 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.0669
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.316 0.409
Plasmodium falciparum thioredoxin reductase 0.0046 0.0821 0.2803
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0046 0.0821 0.2803
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.326 0.4012
Echinococcus granulosus smad 0.0016 0.0083 0.0107
Echinococcus multilocularis smad 0.0016 0.0083 0.0107
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0046 0.0821 0.2803
Trichomonas vaginalis set domain proteins, putative 0.0232 0.5272 0.868
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0046 0.0821 0.2803
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0046 0.0821 0.1042
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0046 0.0821 0.2803
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0544 0.069
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0046 0.0821 0.1062
Echinococcus granulosus GPCR family 2 0.0047 0.0829 0.1072
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0829 0.102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2968 0.2968
Mycobacterium ulcerans beta-lactamase 0.0035 0.0544 0.0895
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0544 0.069
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0544 0.1857
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0544 0.0895
Brugia malayi Pre-SET motif family protein 0.0203 0.4596 0.5657
Loa Loa (eye worm) Smad1 0.0016 0.0083 0.0102
Brugia malayi MH1 domain containing protein 0.0016 0.0083 0.0102
Loa Loa (eye worm) hypothetical protein 0.0047 0.0829 0.102
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0046 0.0821 0.2803
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0544 0.0895
Schistosoma mansoni Smad4 0.0016 0.0083 0.0083
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0146 0.0497
Onchocerca volvulus 0.0029 0.0405 0.0499
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0146 0.2291
Plasmodium falciparum thioredoxin reductase 0.0134 0.2928 1
Brugia malayi MH2 domain containing protein 0.0016 0.0083 0.0102
Mycobacterium tuberculosis Conserved protein 0.0035 0.0544 0.069
Brugia malayi MH2 domain containing protein 0.0016 0.0083 0.0102
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0829 0.1072
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0046 0.0821 0.2803
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.034 0.7881 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0544 0.0895
Schistosoma mansoni smad1 5 8 and 0.0016 0.0083 0.0083
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0405 0.0524
Brugia malayi beta-lactamase family protein 0.0035 0.0544 0.0669
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0146 0.0497
Echinococcus multilocularis tumor protein p63 0.0334 0.7727 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0083 0.0107
Mycobacterium tuberculosis Conserved protein 0.0035 0.0544 0.069
Leishmania major trypanothione reductase 0.0134 0.2928 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.2968 0.3653
Loa Loa (eye worm) hypothetical protein 0.0049 0.0878 0.108
Echinococcus granulosus thioredoxin glutathione reductase 0.0135 0.294 0.3805
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0188 0.4236 0.5214
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0146 0.0497
Schistosoma mansoni hypothetical protein 0.0101 0.2134 0.2134
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0046 0.0821 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0544 0.0704
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0083 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2968 0.2968
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0046 0.0821 0.2803
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0306 0.706 0.8958
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0046 0.0821 0.2803
Schistosoma mansoni smad 0.0016 0.0083 0.0083
Plasmodium vivax SET domain protein, putative 0.0029 0.0405 0.1384
Loa Loa (eye worm) MH2 domain-containing protein 0.0232 0.5272 0.6489
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0821 0.2803
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0544 0.0895
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0046 0.0821 0.1062
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0146 0.1773
Mycobacterium leprae Probable lipase LipE 0.0035 0.0544 0.069
Loa Loa (eye worm) hypothetical protein 0.035 0.8125 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0379 0.0491
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0046 0.0821 0.2803
Brugia malayi glutathione reductase 0.0134 0.2928 0.3604
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0544 0.0895
Schistosoma mansoni hypothetical protein 0.0166 0.37 0.37
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.4596 0.5657
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0046 0.0821 0.2803
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0405 0.0405
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.2968 0.3841
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2968 0.2968
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0083 0.0107
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0046 0.0821 0.2803
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.0669
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0544 0.0669
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0046 0.0821 0.2803
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0083 0.0083
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0046 0.0821 0.101
Echinococcus multilocularis Smad4 0.0016 0.0083 0.0107
Plasmodium vivax thioredoxin reductase, putative 0.0134 0.2928 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.072 0.2458
Echinococcus multilocularis geminin 0.0166 0.37 0.4789
Onchocerca volvulus 0.0035 0.0544 0.0669
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.0669
Brugia malayi N-terminal motif family protein 0.0188 0.4236 0.5214
Schistosoma mansoni hypothetical protein 0.0047 0.0829 0.0829

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0.9 % Inhibition of Trypanosoma brucei phosphofructokinase assessed as enzyme residual activity at 1 mM ChEMBL. 18387804
ED50 (functional) = 0.03 mM Antiparasitic activity against Trypanosoma brucei strain 427 ChEMBL. 18387804
IC50 (binding) = 23 uM Inhibition of Trypanosoma brucei phosphofructokinase ChEMBL. 18387804

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

1 literature reference was collected for this gene.

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