Detailed information for compound 1198519

Basic information

Technical information
  • TDR Targets ID: 1198519
  • Name: 2-[(4-chlorophenyl)-(2-thiophen-2-ylacetyl)am ino]-N-cyclohexyl-2-pyridin-2-ylacetamide
  • MW: 468.011 | Formula: C25H26ClN3O2S
  • H donors: 1 H acceptors: 3 LogP: 5.04 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(N(C(=O)Cc1cccs1)c1ccc(cc1)Cl)c1ccccn1)NC1CCCCC1
  • InChi: 1S/C25H26ClN3O2S/c26-18-11-13-20(14-12-18)29(23(30)17-21-9-6-16-32-21)24(22-10-4-5-15-27-22)25(31)28-19-7-2-1-3-8-19/h4-6,9-16,19,24H,1-3,7-8,17H2,(H,28,31)
  • InChiKey: ZWINCRCXWAJZDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-chlorophenyl)-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(2-pyridyl)acetamide
  • 2-[(4-chlorophenyl)-[1-oxo-2-(2-thienyl)ethyl]amino]-N-cyclohexyl-2-(2-pyridyl)acetamide
  • 2-[(4-chlorophenyl)-(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-pyridin-2-yl-ethanamide
  • 2-[(4-Chloro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-N-cyclohexyl-2-pyridin-2-yl-acetamide
  • ASN 04883700
  • MLS000551983
  • SMR000172900
  • Oprea1_507472
  • Oprea1_177587

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania major trypanothione 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
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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 mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii 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
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi glutathione 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Theileria parva thioredoxin reductase, putative 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 knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Cryptosporidium hominis 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
Leishmania mexicana trypanothione 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Thioredoxin reductase 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Glutathione reductase, related 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum MGC84926 protein, related 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1943 0.1805
Schistosoma mansoni hypothetical protein 0.0185 0.2516 0.3637
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0027 0.0273 0.3552
Mycobacterium tuberculosis Possible oxidoreductase 0.0027 0.0273 0.0106
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0712 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Chlamydia trachomatis oxoacy-ACP reductase 0.0027 0.0273 0.0193
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Loa Loa (eye worm) glutathione reductase 0.0057 0.0699 1
Echinococcus multilocularis geminin 0.0185 0.2516 0.3211
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1737 0.1595
Trypanosoma brucei oxidoreductase-like protein 0.0027 0.0273 0.1964
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0169 0.0203
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0154 0.2075 0.3724
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Leishmania major pteridine reductase 1 0.0027 0.0273 0.1964
Echinococcus granulosus cpg binding protein 0.0037 0.0409 0.051
Plasmodium falciparum thioredoxin reductase 0.0057 0.0699 0.098
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0672 0.0848
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0027 0.0273 0.0193
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0027 0.0273 0.0193
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0027 0.0273 0.0106
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0238 0.1298
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0045 0.0044
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0027 0.0273 0.0193
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0154 0.2075 0.3724
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0027 0.0273 0.3533
Giardia lamblia Fructose-bisphosphate aldolase 0.0154 0.2075 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Loa Loa (eye worm) oxidoreductase 0.0027 0.0273 0.3533
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0672 0.0848
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.7814 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0027 0.0273 0.0193
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0672 0.0848
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0041 0.0038
Brugia malayi hypothetical protein 0.0025 0.0238 0.3018
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0672 0.9599
Leishmania major trypanothione reductase 0.0057 0.0699 1
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Mycobacterium ulcerans oxidoreductase 0.0027 0.0273 0.0106
Schistosoma mansoni hypothetical protein 0.0011 0.0045 0.005
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.04 0.5571 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0095 0.0848
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.1737 0.1505
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0027 0.0273 0.1964
Trypanosoma brucei pteridine reductase 1 0.0027 0.0273 0.1964
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0027 0.0273 0.3552
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0027 0.0273 0.0193
Treponema pallidum fructose-bisphosphate aldolase 0.0154 0.2075 1
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0027 0.0273 0.0106
Brugia malayi Thioredoxin reductase 0.0057 0.0699 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0699 0.0882
Leishmania major oxidoreductase-like protein 0.0027 0.0273 0.1964
Loa Loa (eye worm) hypothetical protein 0.0027 0.0273 0.3533
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1737 0.1595
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0169 0.023
Plasmodium vivax enoyl-acyl carrier protein reductase 0.04 0.5571 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0154 0.2075 0.3724
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0027 0.0273 0.1964
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1943 0.1805
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.7814 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.04 0.5571 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0154 0.2075 0.3724
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0238 0.0127
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0169 0.0203
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0045 0.0044
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0027 0.0273 0.0106
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0027 0.0273 0.0106
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0699 0.0539
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0699 0.098
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Schistosoma mansoni cpg binding protein 0.0037 0.0409 0.0578
Echinococcus granulosus neuropeptide s receptor 0.0558 0.7814 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0238 0.2998
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.04 0.5571 0.5446
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.04 0.5571 0.5495
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0154 0.2075 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0409 0.051
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0169 0.0304
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0154 0.2075 0.3724
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0154 0.2075 0.3724
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0169 0.0304
Plasmodium falciparum glutathione reductase 0.0057 0.0699 0.098
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0699 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0027 0.0273 0.0336
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0238 0.0127
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1943 0.1805
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0027 0.0273 0.0106
Onchocerca volvulus 0.0035 0.0381 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0027 0.0273 0.0336
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0027 0.0273 0.1964
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1737 0.1595
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0672 0.0848
Brugia malayi hypothetical protein 0.0016 0.0114 0.1141
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Brugia malayi CXXC zinc finger family protein 0.0035 0.0381 0.5179
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0027 0.0273 0.0381
Mycobacterium tuberculosis Possible oxidoreductase 0.0027 0.0273 0.0106
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0027 0.0273 0.0106
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0027 0.0273 0.1964
Schistosoma mansoni dihydropteridine reductase 0.0027 0.0273 0.0381
Plasmodium vivax glutathione reductase, putative 0.0057 0.0699 0.098
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0154 0.2075 0.3724
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0238 0.1298
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0238 0.0127
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0027 0.0273 0.1964
Schistosoma mansoni hypothetical protein 0.0494 0.6899 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0027 0.0273 0.0106
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1737 0.1595
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.7814 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.04 0.5571 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0672 0.0961
Mycobacterium tuberculosis Probable reductase 0.013 0.1737 0.1595
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0027 0.0273 0.0106
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1737 0.1595
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0672 0.0961
Schistosoma mansoni cpg binding protein 0.0035 0.0381 0.0537
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0027 0.0273 0.0106
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0027 0.0273 0.0106
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.6899 0.8827
Schistosoma mansoni cpg binding protein 0.0037 0.0409 0.0578
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0672 0.9598
Brugia malayi glutathione reductase 0.0057 0.0699 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1943 0.1717
Leishmania major hypothetical protein, conserved 0.0025 0.0238 0.1298
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0027 0.0273 0.0106
Trichomonas vaginalis hypothetical protein 0.04 0.5571 1
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0027 0.0273 0.1964
Schistosoma mansoni hypothetical protein 0.0185 0.2516 0.3637
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0933 0.1338
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0027 0.0273 0.0193
Trypanosoma brucei trypanothione reductase 0.0057 0.0699 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0238 0.0127
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0154 0.2075 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0154 0.2075 0.3724
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0095 0.0848
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0381 0.5165
Mycobacterium ulcerans short chain dehydrogenase 0.0027 0.0273 0.0106
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.04 0.5571 0.5495
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0041 0.0038
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0027 0.0273 0.0106
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.04 0.5571 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0027 0.0273 0.0106
Mycobacterium tuberculosis Probable oxidoreductase 0.0027 0.0273 0.0106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0672 0.0961
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0027 0.0273 0.1964
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0821 0.1207
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0169 0.1977
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0238 0.1298
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0699 0.0882
Loa Loa (eye worm) retinol dehydrogenase 12 0.0027 0.0273 0.3533
Toxoplasma gondii thioredoxin reductase 0.0057 0.0699 0.098
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0712 1 1
Echinococcus granulosus dnaJ subfamily B 0.0494 0.6899 0.8827
Echinococcus granulosus geminin 0.0185 0.2516 0.3211
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0699 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 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
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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