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
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

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

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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