Detailed information for compound 1625414

Basic information

Technical information
  • TDR Targets ID: 1625414
  • Name: N-[(5-methylfuran-2-yl)methylideneamino]-2-py ridin-4-ylquinoline-4-carboxamide
  • MW: 356.377 | Formula: C21H16N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(o1)/C=N/NC(=O)c1cc(nc2c1cccc2)c1ccncc1
  • InChi: 1S/C21H16N4O2/c1-14-6-7-16(27-14)13-23-25-21(26)18-12-20(15-8-10-22-11-9-15)24-19-5-3-2-4-17(18)19/h2-13H,1H3,(H,25,26)/b23-13+
  • InChiKey: PVWHFHMOORRRTM-YDZHTSKRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(5-methyl-2-furyl)methyleneamino]-2-(4-pyridyl)quinoline-4-carboxamide
  • N-[(5-methyl-2-furyl)methyleneamino]-2-(4-pyridyl)-4-quinolinecarboxamide
  • N-[(5-methyl-2-furyl)methyleneamino]-2-(4-pyridyl)cinchoninamide
  • N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-4-yl-quinoline-4-carboxamide
  • IVK/1025362
  • AK-968/41924027

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase 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
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei trypanothione 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
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Candida albicans Mitochondrial 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
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
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
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense 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
Schistosoma mansoni 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
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Echinococcus granulosus guanine nucleotide binding protein Gs 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum 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
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 knowlesi 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. 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
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
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
Plasmodium berghei glutathione 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
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, 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
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi 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
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Glutathione reductase, related 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
Trypanosoma cruzi isocitrate dehydrogenase, putative 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
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0182 0.1702 0.604
Brugia malayi Isocitrate dehydrogenase 0.0019 0 0.0001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0377 0.1337
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0 0.0001
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.023 0.0817
Plasmodium falciparum glutathione reductase 0.0046 0.0277 1
Mycobacterium tuberculosis Probable reductase 0.0104 0.0887 0.3146
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0429 0.1521
Loa Loa (eye worm) hypothetical protein 0.006 0.0429 0.1521
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1303 0.4624
Schistosoma mansoni hypothetical protein 0.0205 0.1933 0.6858
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0277 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.2083 0.7393
Loa Loa (eye worm) glutathione reductase 0.0046 0.0277 0.0984
Echinococcus granulosus muscleblind protein 0.018 0.168 0.5962
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0377 0.0377
Schistosoma mansoni endothelin-converting enzyme-related 0.0071 0.0536 0.1903
Schistosoma mansoni hypothetical protein 0.0041 0.023 0.0817
Schistosoma mansoni hypothetical protein 0.0076 0.0589 0.209
Loa Loa (eye worm) hypothetical protein 0.018 0.168 0.5962
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.1337
Entamoeba histolytica hypothetical protein 0.0043 0.0254 0.5
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.029 0.2818 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0284 0.0284
Plasmodium vivax glutathione reductase, putative 0.0046 0.0277 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.023 0.0817
Loa Loa (eye worm) hypothetical protein 0.029 0.2818 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0377 0.1337
Schistosoma mansoni neprilysin 0.0076 0.0589 0.209
Schistosoma mansoni hypothetical protein 0.0076 0.0589 0.209
Brugia malayi Thioredoxin reductase 0.0046 0.0277 0.0984
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0146 0.1324 0.4697
Schistosoma mansoni hypothetical protein 0.0076 0.0589 0.209
Loa Loa (eye worm) hypothetical protein 0.0219 0.2083 0.7393
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0071 0.0536 0.1903
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0254 0.0902
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1008 0.0627
Brugia malayi peptidase family M13 containing protein 0.0071 0.0536 0.1903
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.029 0.2818 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.2031 0.7206
Loa Loa (eye worm) peptidase family M13 containing protein 0.0214 0.2031 0.7206
Loa Loa (eye worm) hypothetical protein 0.0143 0.1296 0.4599
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0 0.0001
Loa Loa (eye worm) zinc metallopeptidase 4 0.0071 0.0536 0.1903
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0377 0.1337
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0071 0.0536 0.1903
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0887 0.3146
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0146 0.1324 0.4697
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0146 0.1324 0.4697
Echinococcus multilocularis geminin 0.0205 0.1933 0.1933
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0377 0.0377
Loa Loa (eye worm) hypothetical protein 0.0214 0.2031 0.7206
Loa Loa (eye worm) hypothetical protein 0.0214 0.2031 0.7206
Schistosoma mansoni hypothetical protein 0.0076 0.0589 0.209
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0254 0.0902
Mycobacterium leprae probable zinc metalloprotease 0.029 0.2818 1
Schistosoma mansoni neprilysin-2 (M13 family) 0.0146 0.1324 0.4697
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0377 0.1337
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1008 0.3576
Loa Loa (eye worm) peptidase family M13 containing protein 0.0214 0.2031 0.7206
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0429 0.1521
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0277 0.0983
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0146 0.1324 0.4697
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0254 0.0254
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.1337
Loa Loa (eye worm) hypothetical protein 0.0219 0.2083 0.7393
Trypanosoma brucei trypanothione reductase 0.0046 0.0277 1
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.029 0.2818 1
Echinococcus granulosus geminin 0.0205 0.1933 0.6858
Leishmania major trypanothione reductase 0.0046 0.0277 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0887 0.3146
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0284 0.1007
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0887 0.3146
Loa Loa (eye worm) hypothetical protein 0.0219 0.2083 0.7393
Mycobacterium ulcerans zinc metalloprotease 0.029 0.2818 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0277 0.0984
Schistosoma mansoni hypothetical protein 0.0205 0.1933 0.6858
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1008 0.3576
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0071 0.0536 0.1903
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0887 0.3146
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.1337
Echinococcus multilocularis muscleblind protein 1 0.018 0.168 0.168
Schistosoma mansoni hypothetical protein 0.0043 0.0254 0.0902
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0 0.0001
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0071 0.0536 0.1903
Echinococcus multilocularis endothelin converting enzyme 1 0.029 0.2818 0.2818
Toxoplasma gondii peptidase family M13 protein 0.029 0.2818 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0887 0.3146
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0076 0.0589 0.209
Loa Loa (eye worm) hypothetical protein 0.029 0.2818 1
Brugia malayi hypothetical protein 0.0043 0.0254 0.0902
Loa Loa (eye worm) hypothetical protein 0.0219 0.2083 0.7393
Loa Loa (eye worm) hypothetical protein 0.0182 0.1702 0.604
Entamoeba histolytica hypothetical protein 0.0043 0.0254 0.5
Loa Loa (eye worm) hypothetical protein 0.0219 0.2083 0.7393
Loa Loa (eye worm) hypothetical protein 0.029 0.2818 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1008 0.3576
Brugia malayi isocitrate dehydrogenase 0.0019 0 0.0001
Schistosoma mansoni hypothetical protein 0.0076 0.0589 0.209
Brugia malayi Muscleblind-like protein 0.018 0.168 0.5962
Entamoeba histolytica hypothetical protein 0.0043 0.0254 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1303 0.4624
Loa Loa (eye worm) hypothetical protein 0.018 0.168 0.5962
Toxoplasma gondii thioredoxin reductase 0.0046 0.0277 0.0983
Brugia malayi Peptidase family M13 containing protein 0.029 0.2818 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0277 1
Echinococcus multilocularis muscleblind protein 0.018 0.168 0.168
Loa Loa (eye worm) hypothetical protein 0.0214 0.2031 0.7206
Plasmodium falciparum thioredoxin reductase 0.0046 0.0277 1
Echinococcus granulosus endothelin converting enzyme 1 0.029 0.2818 1
Entamoeba histolytica hypothetical protein 0.0043 0.0254 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0429 0.1521
Brugia malayi MH2 domain containing protein 0.0144 0.1303 0.4624
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0071 0.0536 0.1903
Schistosoma mansoni hypothetical protein 0.0076 0.0589 0.209
Brugia malayi glutathione reductase 0.0046 0.0277 0.0984
Onchocerca volvulus 0.0182 0.1702 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.41 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compounds Cytotoxic to RAS-Dependent BJ-TERT-LT-ST Fibroblast. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1554, AID1674] ChEMBL. No reference
EC50 (functional) = 2.769 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 25.354 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT-LT-ST RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 37.512 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Compounds Cytotoxic to BJeLR RAS-Dependent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
Potency (functional) 1.2995 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) = 1.4125 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) 1.4125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4581 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) 2.2387 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 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) 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) 7.3078 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) 14.575 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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