Detailed information for compound 1410148

Basic information

Technical information
  • TDR Targets ID: 1410148
  • Name: 2-methoxy-N-[2-[1-[3-(5-methylfuran-2-yl)buty l]piperidin-4-yl]pyrazol-3-yl]benzamide
  • MW: 436.547 | Formula: C25H32N4O3
  • H donors: 1 H acceptors: 2 LogP: 4.01 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)CCC(c1ccc(o1)C)C
  • InChi: 1S/C25H32N4O3/c1-18(22-9-8-19(2)32-22)11-15-28-16-12-20(13-17-28)29-24(10-14-26-29)27-25(30)21-6-4-5-7-23(21)31-3/h4-10,14,18,20H,11-13,15-17H2,1-3H3,(H,27,30)
  • InChiKey: LDEYAFBKDNJFOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methoxy-N-[2-[1-[3-(5-methyl-2-furyl)butyl]-4-piperidyl]pyrazol-3-yl]benzamide
  • 2-methoxy-N-[2-[1-[3-(5-methyl-2-furyl)butyl]-4-piperidinyl]-3-pyrazolyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) 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 mexicana trypanothione reductase 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
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma congolense trypanothione 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
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium knowlesi 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium yoelii 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
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin 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
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania infantum trypanothione 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
Plasmodium knowlesi glutathione reductase, 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
Plasmodium berghei 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania major trypanothione reductase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0113 0.0108
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0245 0.9262
Brugia malayi intermediate filament protein 0.0028 0.0114 0.0503
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0872 0.0866
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0245 0.1023
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2045 0.9046
Echinococcus granulosus lamin 0.0028 0.0114 0.0373
Mycobacterium ulcerans hypothetical protein 0.0043 0.0245 0.024
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0771 0.0766
Echinococcus granulosus geminin 0.0349 0.2889 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0114 0.0503
Loa Loa (eye worm) glutathione reductase 0.0046 0.0264 0.117
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0034 0.0097
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0113 1
Plasmodium vivax basic transcription factor 3b, putative 0.0037 0.0186 0.6974
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0181 0.0607
Schistosoma mansoni lamin 0.0028 0.0114 0.0373
Mycobacterium tuberculosis Conserved protein 0.0043 0.0245 0.024
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0245 0.1023
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0245 0.9262
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0186 0.6974
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0738 0.254
Leishmania major trypanothione reductase 0.0046 0.0264 1
Loa Loa (eye worm) glutaminase 0.0276 0.2261 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0245 0.024
Mycobacterium tuberculosis Conserved protein 0.0043 0.0245 0.024
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0006 0.0026
Trichomonas vaginalis esterase, putative 0.0043 0.0245 0.1023
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0245 0.1023
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0872 0.0866
Entamoeba histolytica transcription factor BTF3, putative 0.0037 0.0186 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0245 0.083
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0245 0.0133
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.027 0.0915
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0771 0.0766
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0771 0.0766
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0245 0.1085
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0245 0.024
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0034 0.015
Mycobacterium ulcerans lipase LipD 0.0043 0.0245 0.024
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.027 0.0915
Toxoplasma gondii ABC1 family protein 0.0043 0.0245 0.9262
Onchocerca volvulus 0.0043 0.0245 0.059
Loa Loa (eye worm) glutaminase 2 0.0276 0.2261 1
Mycobacterium ulcerans isocitrate lyase AceAb 0.117 1 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0245 0.024
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.017 0.0567
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0186 0.077
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0245 0.024
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.039 0.1726
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0006 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0114 0.0503
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0113 0.0108
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2274 0.227
Echinococcus multilocularis lamin 0.0028 0.0114 0.0373
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0872 0.0866
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.0771 0.0665
Mycobacterium tuberculosis Conserved protein 0.0043 0.0245 0.024
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0181 0.0607
Loa Loa (eye worm) hypothetical protein 0.0043 0.0245 0.1085
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0771 0.0766
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0113 0.4157
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.0097
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.117 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0738 0.3266
Mycobacterium leprae Probable lipase LipE 0.0043 0.0245 0.0133
Echinococcus granulosus lamin dm0 0.0028 0.0114 0.0373
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0181 0.0607
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0872 0.0767
Echinococcus multilocularis lamin dm0 0.0028 0.0114 0.0373
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0113 0.4157
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0137 0.1053 0.363
Trichomonas vaginalis glutaminase, putative 0.0276 0.2261 0.9636
Brugia malayi Thioredoxin reductase 0.0046 0.0264 0.117
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0245 0.1023
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0245 0.024
Loa Loa (eye worm) hypothetical protein 0.0043 0.0245 0.1085
Loa Loa (eye worm) hypothetical protein 0.0019 0.0034 0.015
Loa Loa (eye worm) hypothetical protein 0.0043 0.0245 0.1085
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0186 0.077
Echinococcus multilocularis musashi 0.0028 0.0114 0.0373
Loa Loa (eye worm) hypothetical protein 0.0036 0.0181 0.0801
Trypanosoma brucei transcription factor BTF3, putative 0.0037 0.0186 0.6974
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0113 0.4157
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0738 0.254
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0245 0.9262
Echinococcus granulosus GPCR family 2 0.0019 0.0034 0.0097
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.039 0.1726
Brugia malayi beta-lactamase 0.0043 0.0245 0.1085
Echinococcus granulosus intermediate filament protein 0.0028 0.0114 0.0373
Brugia malayi glutaminase DH11.1 0.0276 0.2261 1
Schistosoma mansoni hypothetical protein 0.0349 0.2889 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0113 0.0108
Mycobacterium ulcerans isocitrate lyase Icl 0.117 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0264 0.0259
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0113 1
Onchocerca volvulus 0.01 0.0738 0.2798
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.117 1 1
Leishmania major hypothetical protein, conserved 0.0043 0.0245 0.9262
Mycobacterium leprae Isocitrate lyase 0.0548 0.4618 0.4556
Plasmodium falciparum glutathione reductase 0.0046 0.0264 1
Toxoplasma gondii NAC domain-containing protein 0.0037 0.0186 0.6974
Loa Loa (eye worm) hypothetical protein 0.0043 0.0245 0.1085
Brugia malayi beta-lactamase family protein 0.0043 0.0245 0.1085
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0114 0.0503
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0245 0.083
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.0097
Schistosoma mansoni thyroid hormone receptor 0.0148 0.1148 0.396
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0264 0.117
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.117 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0181 0.0607
Schistosoma mansoni lamin 0.0028 0.0114 0.0373
Brugia malayi beta-NAC-like protein 0.0037 0.0186 0.0824
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0186 0.6974
Plasmodium falciparum thioredoxin reductase 0.0046 0.0264 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0181 0.0607
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0113 1
Onchocerca volvulus 0.0036 0.0181 0.0302
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0245 0.024
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0264 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0181 0.0801
Echinococcus multilocularis transcription factor btf3 0.0037 0.0186 0.0625
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0113 0.4157
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0181 0.0607
Echinococcus granulosus transcription factor btf3 0.0037 0.0186 0.0625
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0245 0.024
Plasmodium vivax glutathione reductase, putative 0.0046 0.0264 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0181 0.6773
Trypanosoma brucei trypanothione reductase 0.0046 0.0264 1
Schistosoma mansoni transcription factor btf3 0.0037 0.0186 0.0625
Schistosoma mansoni glutaminase 0.0276 0.2261 0.7819
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0181 0.6773
Loa Loa (eye worm) hypothetical protein 0.006 0.039 0.1726
Loa Loa (eye worm) hypothetical protein 0.0043 0.0245 0.1085
Mycobacterium ulcerans beta-lactamase 0.0043 0.0245 0.024
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0245 0.024
Schistosoma mansoni hypothetical protein 0.0137 0.1053 0.363
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0137 0.1053 0.363
Loa Loa (eye worm) hypothetical protein 0.0041 0.0225 0.0996
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0738 0.254
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0245 0.083
Toxoplasma gondii thioredoxin reductase 0.0046 0.0264 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0771 0.0766
Echinococcus multilocularis GPCR, family 2 0.0019 0.0034 0.0097
Loa Loa (eye worm) hypothetical protein 0.0043 0.0245 0.1085
Brugia malayi Pre-SET motif family protein 0.0251 0.2045 0.9046
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0225 0.0996
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0034 0.0097
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0034 0.015
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2346 1
Brugia malayi glutathione reductase 0.0046 0.0264 0.117
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0113 0.4157
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0245 0.1023
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0738 0.3266
Mycobacterium tuberculosis Probable reductase 0.0104 0.0771 0.0766
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0245 0.024
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0034 0.015
Onchocerca volvulus 0.0286 0.2346 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0109 0.0483
Plasmodium falciparum basic transcription factor 3b, putative 0.0037 0.0186 0.6974
Echinococcus multilocularis geminin 0.0349 0.2889 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.1148 0.396
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0245 0.9262
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0034 0.0097
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0264 1
Loa Loa (eye worm) ICD-1 protein 0.0037 0.0186 0.0824
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.039 0.1726
Entamoeba histolytica hypothetical protein 0.0037 0.0186 1
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.0097
Schistosoma mansoni intermediate filament proteins 0.0028 0.0114 0.0373
Onchocerca volvulus 0.0043 0.0245 0.059
Mycobacterium ulcerans glutaminase 0.0276 0.2261 0.2256
Schistosoma mansoni thyroid hormone receptor 0.0148 0.1148 0.396
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0245 0.1085
Schistosoma mansoni hypothetical protein 0.0019 0.0034 0.0097
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0181 0.0607
Schistosoma mansoni hypothetical protein 0.0349 0.2889 1
Leishmania major basic transcription factor 3a, putative 0.0037 0.0186 0.6974
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0186 0.077
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0034 0.0097
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0113 0.4157
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0114 0.0503
Loa Loa (eye worm) beta-lactamase 0.0043 0.0245 0.1085
Schistosoma mansoni hypothetical protein 0.0041 0.0225 0.076
Brugia malayi beta-lactamase family protein 0.0043 0.0245 0.1085
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0245 0.083
Onchocerca volvulus 0.0043 0.0245 0.059

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) = 14.1254 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
Potency (functional) 18.526 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) = 18.6892 um PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) [Related pubchem assays: 1490 (qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)), 1819 (Probe Development Summary of Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase))] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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