Detailed information for compound 1228417

Basic information

Technical information
  • TDR Targets ID: 1228417
  • Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl ]amino]-4-(5-methylfuran-2-yl)thiophene-3-car boxylate
  • MW: 419.495 | Formula: C20H25N3O5S
  • H donors: 2 H acceptors: 3 LogP: 2.45 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(scc1c1ccc(o1)C)NC(=O)CN1CCC(CC1)C(=O)N
  • InChi: 1S/C20H25N3O5S/c1-3-27-20(26)17-14(15-5-4-12(2)28-15)11-29-19(17)22-16(24)10-23-8-6-13(7-9-23)18(21)25/h4-5,11,13H,3,6-10H2,1-2H3,(H2,21,25)(H,22,24)
  • InChiKey: UDNJLAGKIFBEDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[[2-(4-carbamoyl-1-piperidyl)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylate
  • 2-[[2-(4-carbamoyl-1-piperidinyl)-1-oxoethyl]amino]-4-(5-methyl-2-furyl)-3-thiophenecarboxylic acid ethyl ester
  • 2-[[2-(4-carbamoyl-1-piperidyl)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylic acid ethyl ester
  • ethyl 2-[2-(4-aminocarbonylpiperidin-1-yl)ethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
  • T0518-6827
  • MLS001032948
  • SMR000363551

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei glutathione reductase, putative 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 Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii 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
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major trypanothione 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:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Glutathione reductase, related 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
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax thioredoxin reductase, putative 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
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei thioredoxin 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
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 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus pyruvate kinase 0.004 0.1 0.0866
Loa Loa (eye worm) glutaminase 2 0.0265 0.8835 0.8765
Plasmodium vivax importin-beta 2, putative 0.0028 0.0569 0.4052
Loa Loa (eye worm) TAR-binding protein 0.0193 0.6341 0.612
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.3231 0.8837
Echinococcus granulosus pyruvate kinase 0.0021 0.0316 0.0172
Echinococcus multilocularis pyruvate kinase 0.004 0.1 0.0866
Chlamydia trachomatis pyruvate kinase 0.004 0.1 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.1 0.0457
Plasmodium falciparum glutathione reductase 0.0046 0.1189 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3637 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.1 0.1132
Brugia malayi hypothetical protein 0.0129 0.4099 0.4639
Leishmania major trypanothione reductase 0.0046 0.1189 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0235 0.7796 0.7763
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3637 1
Schistosoma mansoni glutaminase 0.0265 0.8835 0.8818
Loa Loa (eye worm) pyruvate kinase 0.004 0.1 0.0457
Loa Loa (eye worm) hypothetical protein 0.0129 0.4099 0.3743
Echinococcus granulosus importin subunit beta 1 0.0028 0.0569 0.0428
Echinococcus multilocularis pyruvate kinase 0.0021 0.0316 0.0172
Loa Loa (eye worm) hypothetical protein 0.004 0.1 0.0457
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.1 0.8192
Echinococcus granulosus tar DNA binding protein 0.0193 0.6341 0.6286
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0952 0.7728
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.1 0.0674
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.3231 0.8837
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1189 0.0657
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0569 0.4052
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0952 0.0927
Echinococcus multilocularis pyruvate kinase 0.0021 0.0316 0.0172
Plasmodium vivax pyruvate kinase 2, putative 0.0021 0.0316 0.1624
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.1 0.0982
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0952 0.0817
Schistosoma mansoni inositol monophosphatase 0.0039 0.0952 0.0817
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.121 0.1079
Schistosoma mansoni pyruvate kinase 0.004 0.1 0.0866
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3637 1
Brugia malayi glutathione reductase 0.0046 0.1189 0.1345
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0147 0.0166
Toxoplasma gondii pyruvate kinase PyKII 0.0021 0.0316 0.1624
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0235 0.7796 0.7763
Loa Loa (eye worm) inositol-1 0.0039 0.0952 0.0406
Echinococcus granulosus pyruvate kinase 0.0021 0.0316 0.0172
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0235 0.7796 0.8824
Schistosoma mansoni pyruvate kinase 0.004 0.1 0.0866
Loa Loa (eye worm) pyruvate kinase 0.004 0.1 0.0457
Brugia malayi RNA, U transporter 1 0.0079 0.2366 0.2678
Echinococcus granulosus geminin 0.0205 0.6737 0.6688
Loa Loa (eye worm) glutaminase 0.0265 0.8835 0.8765
Echinococcus multilocularis snurportin 1 0.0298 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.121 0.1079
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.1 0.8192
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.3231 0.8837
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0012 0.002 0.0022
Schistosoma mansoni hypothetical protein 0.0205 0.6737 0.6688
Brugia malayi Importin beta-1 subunit 0.0028 0.0569 0.0644
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.1 0.8192
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0952 0.7728
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0235 0.7796 0.7763
Plasmodium falciparum pyruvate kinase 2 0.0021 0.0316 0.1624
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4626 0.4302
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1189 0.2985
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1189 1
Leishmania major pyruvate kinase 0.004 0.1 0.8192
Trichomonas vaginalis glutaminase, putative 0.0265 0.8835 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.6341 0.6286
Schistosoma mansoni tar DNA-binding protein 0.0193 0.6341 0.6286
Mycobacterium tuberculosis Probable reductase 0.0104 0.3231 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3637 1
Echinococcus multilocularis pyruvate kinase 0.0032 0.0704 0.0566
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0952 0.0927
Brugia malayi Inositol-1 0.0039 0.0952 0.1077
Treponema pallidum NADH oxidase 0.0016 0.0147 0.5
Giardia lamblia Pyruvate kinase 0.0021 0.0316 0.1982
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0385 0.2283
Leishmania major importin beta-1 subunit, putative 0.0023 0.0385 0.2283
Brugia malayi Thioredoxin reductase 0.0046 0.1189 0.1345
Plasmodium falciparum thioredoxin reductase 0.0046 0.1189 1
Leishmania major pyruvate kinase 0.004 0.1 0.8192
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.1 0.2445
Mycobacterium ulcerans pyruvate kinase 0.004 0.1 0.0982
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0952 0.0927
Brugia malayi TAR-binding protein 0.0193 0.6341 0.7177
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0952 0.7728
Brugia malayi RNA recognition motif domain containing protein 0.0193 0.6341 0.7177
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.3231 0.8837
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0952 1
Plasmodium falciparum importin beta, putative 0.0028 0.0569 0.4052
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0385 0.0274
Schistosoma mansoni pyruvate kinase 0.0021 0.0316 0.0172
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0952 0.0927
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.081 0.1899
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0298 1 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0569 0.0428
Schistosoma mansoni hypothetical protein 0.0205 0.6737 0.6688
Brugia malayi MH2 domain containing protein 0.0144 0.4626 0.5236
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0569 0.4052
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0952 0.7728
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0385 0.0274
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0193 0.6341 0.612
Loa Loa (eye worm) hypothetical protein 0.0129 0.4099 0.3743
Echinococcus multilocularis geminin 0.0205 0.6737 0.6688
Echinococcus multilocularis pyruvate kinase 0.004 0.1 0.0866
Trypanosoma brucei pyruvate kinase 1 0.004 0.1 0.8192
Schistosoma mansoni inositol monophosphatase 0.0039 0.0952 0.0817
Schistosoma mansoni tar DNA-binding protein 0.0193 0.6341 0.6286
Brugia malayi RNA binding protein 0.0193 0.6341 0.7177
Schistosoma mansoni tar DNA-binding protein 0.0193 0.6341 0.6286
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0952 1
Giardia lamblia Pyruvate kinase 0.004 0.1 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.6341 0.6286
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0235 0.7796 0.7763
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0235 0.7796 0.7763
Brugia malayi glutaminase DH11.1 0.0265 0.8835 1
Plasmodium vivax pyruvate kinase, putative 0.004 0.1 0.8192
Echinococcus granulosus pyruvate kinase 0.004 0.1 0.0866
Echinococcus granulosus pyruvate kinase 0.0021 0.0316 0.0172
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.3231 0.8837
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.3231 0.8565
Onchocerca volvulus Huntingtin homolog 0.0129 0.4099 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0235 0.7796 0.7763
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0952 0.0817
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.1 0.1132
Loa Loa (eye worm) glutathione reductase 0.0046 0.1189 0.0657
Plasmodium vivax glutathione reductase, putative 0.0046 0.1189 1
Trypanosoma brucei trypanothione reductase 0.0046 0.1189 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0385 0.0274
Schistosoma mansoni hypothetical protein 0.0298 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4626 0.4302
Mycobacterium ulcerans glutaminase 0.0265 0.8835 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0235 0.7796 0.7763
Loa Loa (eye worm) RNA binding protein 0.0193 0.6341 0.612
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0235 0.7796 0.7663
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0575 0.3353
Onchocerca volvulus Huntingtin homolog 0.0129 0.4099 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0952 0.7728
Plasmodium falciparum pyruvate kinase 0.004 0.1 0.8192
Toxoplasma gondii thioredoxin reductase 0.0046 0.1189 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0569 0.4052
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1189 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.1 0.0982
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.1 0.8192
Echinococcus multilocularis tar DNA binding protein 0.0193 0.6341 0.6286
Schistosoma mansoni importin beta-1 0.0028 0.0569 0.0428
Loa Loa (eye worm) hypothetical protein 0.0028 0.0575 0.0006
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0575 0.0006
Echinococcus multilocularis pyruvate kinase 0.0021 0.0316 0.0172

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2818 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 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) 3.2643 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) 5.2213 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) 6.3096 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) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] 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) 26.8545 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) 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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) 44.6684 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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