Detailed information for compound 1459800

Basic information

Technical information
  • TDR Targets ID: 1459800
  • Name: (Z)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]- 2-cyanoprop-2-enamide
  • MW: 317.684 | Formula: C14H8ClN3O4
  • H donors: 1 H acceptors: 4 LogP: 2.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C/c1ccc(o1)c1cc(ccc1Cl)[N+](=O)[O-])/C(=O)N
  • InChi: 1S/C14H8ClN3O4/c15-12-3-1-9(18(20)21)6-11(12)13-4-2-10(22-13)5-8(7-16)14(17)19/h1-6H,(H2,17,19)/b8-5-
  • InChiKey: OMTYRBIHYKFMIY-YVMONPNESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (Z)-3-[5-(2-chloro-5-nitro-phenyl)-2-furyl]-2-cyano-prop-2-enamide
  • (Z)-3-[5-(2-chloro-5-nitrophenyl)-2-furyl]-2-cyanoprop-2-enamide
  • (Z)-3-[5-(2-chloro-5-nitro-phenyl)-2-furyl]-2-cyano-acrylamide
  • (Z)-3-[5-(2-chloro-5-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enamide
  • SMR000211653
  • ZINC00432074
  • STOCK2S-48370
  • (Z)-3-[5-(2-Chloro-5-nitro-phenyl)-furan-2-yl]-2-cyano-acrylamide
  • MLS000587684

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis 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
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii glutathione reductase 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
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase 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
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
Toxoplasma gondii thioredoxin reductase 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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum glutathione reductase 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
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 isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) glutathione 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
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus thioredoxin glutathione 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis thioredoxin 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis thiodoxin 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
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva thioredoxin reductase, putative 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
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 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
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 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.018 0.0596 0.0585
Mycobacterium tuberculosis Probable reductase 0.0104 0.032 0.195
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.032 0.195
Brugia malayi Carboxylesterase family protein 0.0469 0.1642 0.1642
Loa Loa (eye worm) hypothetical protein 0.0469 0.1642 0.1632
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0012 0.1088
Echinococcus multilocularis acetylcholinesterase 0.2776 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0143 0.0143
Treponema pallidum NADH oxidase 0.0016 0 0.5
Brugia malayi isocitrate dehydrogenase 0.0019 0.0012 0.0012
Onchocerca volvulus 0.0469 0.1642 0.5
Brugia malayi Carboxylesterase family protein 0.0469 0.1642 0.1642
Schistosoma mansoni neuroligin 3 (S09 family) 0.0469 0.1642 0.1642
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0143 0.0143
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.032 0.195
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0469 0.1642 1
Echinococcus multilocularis carboxylesterase 5A 0.2776 1 1
Loa Loa (eye worm) hypothetical protein 0.2776 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0143 0.0143
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0143 0.0143
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0143 0.0131
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0362 0.2206
Brugia malayi Carboxylesterase family protein 0.2776 1 1
Schistosoma mansoni gliotactin 0.0469 0.1642 0.1642
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Echinococcus multilocularis neuroligin 0.0469 0.1642 0.1642
Brugia malayi Thioredoxin reductase 0.0046 0.0108 0.0108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0143 0.0143
Echinococcus multilocularis BC026374 protein (S09 family) 0.0469 0.1642 0.1642
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0012 0.0012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0143 0.0143
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0469 0.1642 0.1632
Leishmania major trypanothione reductase 0.0046 0.0108 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0469 0.1642 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0362 0.2206
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0469 0.1642 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0012 0.0012
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0469 0.1642 0.1642
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0469 0.1642 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0012 0.1088
Onchocerca volvulus 0.0469 0.1642 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.011 0.011
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.032 0.195
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0 0.5
Brugia malayi glutathione reductase 0.0046 0.0108 0.0108
Loa Loa (eye worm) acetylcholinesterase 1 0.2776 1 1
Onchocerca volvulus 0.0469 0.1642 0.5
Plasmodium vivax glutathione reductase, putative 0.0046 0.0108 1
Loa Loa (eye worm) hypothetical protein 0.0469 0.1642 0.1632
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.032 0.195
Brugia malayi Carboxylesterase family protein 0.0469 0.1642 0.1642
Loa Loa (eye worm) hypothetical protein 0.018 0.0596 0.0585
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0012 0.0012
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0469 0.1642 0.1642
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0469 0.1642 0.1642
Brugia malayi hypothetical protein 0.0469 0.1642 0.1642
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0108 0.0659
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0012 0.1088
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0012 0.1088
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0362 1
Plasmodium falciparum glutathione reductase 0.0046 0.0108 1
Loa Loa (eye worm) carboxylesterase 0.0469 0.1642 0.1632
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0012 0.0012
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.011 0.011
Onchocerca volvulus 0.0469 0.1642 0.5
Echinococcus granulosus acetylcholinesterase 0.2776 1 1
Echinococcus granulosus para nitrobenzyl esterase 0.0469 0.1642 0.1642
Loa Loa (eye worm) glutathione reductase 0.0046 0.0108 0.0096
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0012 0.1088
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0012 0.1088
Echinococcus granulosus BC026374 protein S09 family 0.0469 0.1642 0.1642
Loa Loa (eye worm) hypothetical protein 0.0469 0.1642 0.1632
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0469 0.1642 0.1642
Echinococcus multilocularis muscleblind protein 0.018 0.0596 0.0596
Echinococcus multilocularis acetylcholinesterase 0.2776 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.2776 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0108 1
Loa Loa (eye worm) carboxylesterase 0.2776 1 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0596 0.0596
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0012 0.1088
Plasmodium falciparum thioredoxin reductase 0.0046 0.0108 1
Brugia malayi Carboxylesterase family protein 0.0469 0.1642 0.1642
Echinococcus granulosus neuroligin 0.0469 0.1642 0.1642
Loa Loa (eye worm) hypothetical protein 0.0469 0.1642 0.1632
Echinococcus granulosus carboxylesterase 5A 0.2776 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0108 1
Echinococcus granulosus acetylcholinesterase 0.2776 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0143 0.0143
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0362 0.2206
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0108 0.0096
Loa Loa (eye worm) hypothetical protein 0.0469 0.1642 0.1632
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0012 0.0012
Mycobacterium tuberculosis Carboxylesterase LipT 0.0469 0.1642 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0012 0.0072
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.032 0.195
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0012 0.0012
Schistosoma mansoni acetylcholinesterase 0.0469 0.1642 0.1642
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0012 0.1088
Loa Loa (eye worm) carboxylesterase 0.0469 0.1642 0.1632
Brugia malayi Muscleblind-like protein 0.018 0.0596 0.0596
Trypanosoma brucei trypanothione reductase 0.0046 0.0108 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.0108 1
Echinococcus granulosus muscleblind protein 0.018 0.0596 0.0596
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0012 0.1088
Schistosoma mansoni BC026374 protein (S09 family) 0.0469 0.1642 0.1642
Echinococcus multilocularis para nitrobenzyl esterase 0.0469 0.1642 0.1642
Trichomonas vaginalis spcc417.12 protein, putative 0.0469 0.1642 1
Onchocerca volvulus 0.0469 0.1642 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0469 0.1642 0.1642
Loa Loa (eye worm) hypothetical protein 0.0469 0.1642 0.1632
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0012 0.0012
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2776 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 67.595 uM PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response assay for inhibitors of the orphan nuclear receptor subfamily 0, group B, member 1 (DAX1; NR0B1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504766, AID504790] ChEMBL. No reference
IC50 (functional) > 67.595 uM PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the orphan nuclear receptor subfamily 0, group B, member 1 (DAX1; NR0B1): luminescence-based cell-based high throughput dose response assay to identify compounds that interfere with the UAS/Gal4 system and/or luciferase reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504766, AID504790] ChEMBL. No reference
Potency (functional) 0.8913 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 (binding) 2.8184 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 14.581 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) = 19.9526 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) 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) 29.0929 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) 32.6427 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) 50.1187 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 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

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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