Detailed information for compound 1268779

Basic information

Technical information
  • TDR Targets ID: 1268779
  • Name: 2-nitro-N'-[3-(1,2,3,4-tetrahydrocarbazol-9-y l)propanoyl]benzohydrazide
  • MW: 406.434 | Formula: C22H22N4O4
  • H donors: 2 H acceptors: 4 LogP: 3.41 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCn1c2CCCCc2c2c1cccc2)NNC(=O)c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C22H22N4O4/c27-21(23-24-22(28)17-9-3-6-12-20(17)26(29)30)13-14-25-18-10-4-1-7-15(18)16-8-2-5-11-19(16)25/h1,3-4,6-7,9-10,12H,2,5,8,11,13-14H2,(H,23,27)(H,24,28)
  • InChiKey: JYKFEXCPDSZBAH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-nitro-N'-[1-oxo-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]benzohydrazide
  • STOCK2S-52738
  • ZINC01297189
  • 2-Nitro-benzoic acid N'-(3-1,2,3,4-tetrahydro-carbazol-9-yl-propionyl)-hydrazide
  • MLS000590904
  • SMR000217644

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0785 0.0594
Loa Loa (eye worm) hypothetical protein 0.0034 0.1624 0.1346
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0031 0.1459 0.5873
Giardia lamblia NADH oxidase lateral transfer candidate 0.0047 0.2371 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0047 0.2371 0.2803
Plasmodium vivax thioredoxin reductase, putative 0.0137 0.7366 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2805 0.2805
Echinococcus granulosus carboxylesterase 5A 0.0184 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0013 0.0425 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0031 0.1459 0.1459
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.2371 0.2803
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0137 0.7366 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3082 0.2852
Echinococcus multilocularis acetylcholinesterase 0.0184 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0047 0.2371 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0031 0.1459 0.1282
Trichomonas vaginalis glutamate synthase, putative 0.0013 0.0425 0.1197
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0013 0.0425 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0031 0.1459 0.1282
Onchocerca volvulus 0.0034 0.1624 0.9725
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0047 0.2371 0.2803
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0013 0.0425 0.0116
Schistosoma mansoni acetylcholinesterase 0.0031 0.1459 0.1459
Echinococcus multilocularis c4b binding protein beta chain 0.0034 0.1624 0.145
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0013 0.0425 0.0227
Loa Loa (eye worm) hypothetical protein 0.0041 0.2019 0.1754
Schistosoma mansoni hypothetical protein 0.0019 0.0785 0.0785
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0047 0.2371 0.2803
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0047 0.2371 0.2371
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0013 0.0425 0.0116
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0013 0.0425 0.1197
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2371 0.2803
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0047 0.2371 0.2803
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0013 0.0425 0.1197
Brugia malayi CXXC zinc finger family protein 0.0035 0.1658 0.1388
Brugia malayi hypothetical protein 0.0034 0.1624 0.1353
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0031 0.1459 0.1489
Brugia malayi glutamate synthase 0.0013 0.0425 0.0116
Onchocerca volvulus 0.0034 0.1624 0.9725
Brugia malayi hypothetical protein 0.0031 0.1459 0.1183
Loa Loa (eye worm) hypothetical protein 0.006 0.3082 0.2852
Loa Loa (eye worm) hypothetical protein 0.0031 0.1459 0.1176
Echinococcus granulosus C type lectin domian containing protein 0.0034 0.1624 0.145
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0013 0.0425 0.1197
Schistosoma mansoni disulfide oxidoreductase 0.0013 0.0425 0.0425
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2371 0.2803
Loa Loa (eye worm) hypothetical protein 0.0184 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0031 0.1459 0.1282
Plasmodium falciparum thioredoxin reductase 0.0047 0.2371 0.2803
Toxoplasma gondii rhoptry neck protein RON9 0.0034 0.1624 0.1727
Schistosoma mansoni hypothetical protein 0.0019 0.0785 0.0785
Schistosoma mansoni hypothetical protein 0.0019 0.0785 0.0785
Brugia malayi glutathione reductase 0.0137 0.7366 0.728
Brugia malayi Carboxylesterase family protein 0.0031 0.1459 0.1183
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.2371 1
Schistosoma mansoni sulfide quinone reductase 0.0013 0.0425 0.0425
Plasmodium falciparum apical sushi protein 0.0034 0.1624 0.1727
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.2371 0.2803
Schistosoma mansoni c4b-binding protein beta chain 0.0034 0.1624 0.1624
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.2371 0.2803
Leishmania major trypanothione reductase 0.0137 0.7366 1
Plasmodium falciparum glutathione reductase 0.0137 0.7366 1
Echinococcus granulosus cpg binding protein 0.0037 0.1768 0.1597
Loa Loa (eye worm) hypothetical protein 0.0031 0.1459 0.1176
Echinococcus multilocularis BC026374 protein (S09 family) 0.0031 0.1459 0.1282
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0013 0.0425 0.0227
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0013 0.0425 0.1197
Plasmodium vivax glutathione reductase, putative 0.0137 0.7366 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0013 0.0425 0.0227
Schistosoma mansoni BC026374 protein (S09 family) 0.0031 0.1459 0.1459
Schistosoma mansoni glutamate synthase 0.0013 0.0425 0.0425
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.2371 0.2803
Loa Loa (eye worm) carboxylesterase 0.0184 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0031 0.1459 0.5312
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2371 0.2803
Onchocerca volvulus 0.0034 0.1624 0.9725
Schistosoma mansoni sulfide quinone reductase 0.0013 0.0425 0.0425
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0047 0.2371 0.2803
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0047 0.2371 0.2803
Brugia malayi Sushi domain 0.0034 0.1624 0.1353
Echinococcus granulosus thioredoxin glutathione reductase 0.0137 0.7366 0.7311
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0184 1 1
Onchocerca volvulus 0.0034 0.1624 0.9725
Echinococcus granulosus acetylcholinesterase 0.0184 1 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0013 0.0425 0.1197
Brugia malayi Thioredoxin reductase 0.0137 0.7366 0.728
Loa Loa (eye worm) glutathione reductase 0.0137 0.7366 0.7278
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0031 0.1459 0.1459
Brugia malayi GCC2 and GCC3 family protein 0.0034 0.1624 0.1353
Echinococcus granulosus BC026374 protein S09 family 0.0031 0.1459 0.1282
Loa Loa (eye worm) hypothetical protein 0.0034 0.1624 0.1346
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0035 0.1668 0.1398
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0047 0.2371 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1837 0.1566
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2805 0.2655
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0047 0.2371 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.0137 0.7366 0.7311
Schistosoma mansoni hypothetical protein 0.0013 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.0034 0.1624 0.1346
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0013 0.0425 0.1197
Brugia malayi Carboxylesterase family protein 0.0031 0.1459 0.1183
Trypanosoma cruzi trypanothione reductase, putative 0.0137 0.7366 1
Echinococcus granulosus neuroligin 0.0031 0.1459 0.1282
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0013 0.0425 0.0116
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2805 0.2566
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0047 0.2371 1
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0013 0.0425 0.5
Echinococcus multilocularis C type lectin domian containing protein 0.0034 0.1624 0.145
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0013 0.0425 0.0227
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0321 0.012
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0047 0.2371 0.2803
Schistosoma mansoni cpg binding protein 0.0035 0.1658 0.1658
Plasmodium falciparum thioredoxin reductase 0.0137 0.7366 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1459 0.1176
Onchocerca volvulus 0.0031 0.1459 0.8388
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2805 0.2572
Echinococcus multilocularis carboxylesterase 5A 0.0184 1 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0035 0.1668 0.1398
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0047 0.2371 0.2213
Echinococcus multilocularis GPCR, family 2 0.0019 0.0785 0.0594
Loa Loa (eye worm) hypothetical protein 0.0031 0.1459 0.1176
Onchocerca volvulus 0.0034 0.1624 0.9725
Loa Loa (eye worm) acetylcholinesterase 1 0.0184 1 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0013 0.0425 0.0108
Schistosoma mansoni neuroligin 3 (S09 family) 0.0031 0.1459 0.1459
Echinococcus granulosus para nitrobenzyl esterase 0.0031 0.1459 0.1282
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0047 0.2371 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.2371 0.2803
Onchocerca volvulus 0.0031 0.1459 0.8388
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0047 0.2371 1
Brugia malayi hypothetical protein 0.0034 0.1624 0.1353
Loa Loa (eye worm) hypothetical protein 0.0019 0.0785 0.048
Echinococcus granulosus glutamate synthase 0.0013 0.0425 0.0227
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0785 0.0594
Trichomonas vaginalis mercuric reductase, putative 0.0047 0.2371 1
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0013 0.0425 0.0227
Plasmodium vivax apical sushi protein, putative 0.0034 0.1624 0.1727
Loa Loa (eye worm) hypothetical protein 0.0013 0.0425 0.0108
Onchocerca volvulus 0.0034 0.1624 0.9725
Schistosoma mansoni glutamate synthase 0.0013 0.0425 0.0425
Brugia malayi hypothetical protein 0.0034 0.1624 0.1353
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0031 0.1459 0.1489
Schistosoma mansoni gliotactin 0.0031 0.1459 0.1459
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2805 0.2805
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0013 0.0425 0.5
Loa Loa (eye worm) hypothetical protein 0.0184 1 1
Brugia malayi Carboxylesterase family protein 0.0184 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.2371 0.2803
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.3827 0.3827
Onchocerca volvulus 0.0034 0.1624 0.9725
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0013 0.0425 0.0227
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2805 0.2805
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0013 0.0425 0.0227
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.1658 0.1381
Onchocerca volvulus 0.0034 0.1624 0.9725
Loa Loa (eye worm) hypothetical protein 0.0034 0.1624 0.1346
Mycobacterium tuberculosis Carboxylesterase LipT 0.0031 0.1459 0.1489
Toxoplasma gondii rhoptry neck protein RON1 0.0034 0.1624 0.1727
Schistosoma mansoni hypothetical protein 0.0041 0.2019 0.2019
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2019 0.176
Loa Loa (eye worm) thioredoxin reductase 0.0137 0.7366 0.7278
Schistosoma mansoni cpg binding protein 0.0037 0.1768 0.1768
Echinococcus multilocularis acetylcholinesterase 0.0184 1 1
Loa Loa (eye worm) programmed cell death 8 0.0013 0.0425 0.0108
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0785 0.048
Mycobacterium tuberculosis Probable oxidoreductase 0.0047 0.2371 0.2803
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0321 0.012
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0785 0.0594
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0203 0.0203
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0013 0.0425 0.1197
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0013 0.0425 0.0227
Onchocerca volvulus 0.0031 0.1459 0.8388
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0785 0.0487
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0013 0.0425 0.0227
Brugia malayi Carboxylesterase family protein 0.0031 0.1459 0.1183
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0785 0.0594
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0013 0.0425 0.0227
Echinococcus granulosus GPCR family 2 0.0019 0.0785 0.0594
Loa Loa (eye worm) carboxylesterase 0.0031 0.1459 0.1176
Onchocerca volvulus 0.0034 0.1624 0.9725
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0047 0.2371 0.2803
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3082 0.2858
Loa Loa (eye worm) hypothetical protein 0.0031 0.1459 0.1176
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0047 0.2371 0.2124
Loa Loa (eye worm) hypothetical protein 0.0034 0.1624 0.1346
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3082 0.2858
Loa Loa (eye worm) carboxylesterase 0.0031 0.1459 0.1176
Onchocerca volvulus 0.0034 0.1624 0.9725
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0034 0.1624 0.1346
Trypanosoma brucei trypanothione reductase 0.0137 0.7366 1
Trichomonas vaginalis glutamate synthase, putative 0.0013 0.0425 0.1197
Brugia malayi Carboxylesterase family protein 0.0031 0.1459 0.1183
Onchocerca volvulus 0.0031 0.1459 0.8388
Trichomonas vaginalis glutathione reductase, putative 0.0047 0.2371 1
Echinococcus multilocularis glutamate synthase 0.0013 0.0425 0.0227
Brugia malayi hypothetical protein 0.0034 0.1624 0.1353
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0047 0.2371 0.2213
Echinococcus multilocularis cpg binding protein 0.0037 0.1768 0.1597
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0013 0.0425 0.1197
Schistosoma mansoni cpg binding protein 0.0037 0.1768 0.1768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2805 0.2655
Onchocerca volvulus 0.0031 0.1459 0.8388
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0785 0.0487
Brugia malayi pregnancy-associated plasma protein-A 0.0034 0.1624 0.1353
Loa Loa (eye worm) hypothetical protein 0.0031 0.1459 0.1176
Toxoplasma gondii NADPH-glutathione reductase 0.0047 0.2371 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2371 0.2803
Schistosoma mansoni hypothetical protein 0.0019 0.0785 0.0785
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0013 0.0425 0.0227
Loa Loa (eye worm) hypothetical protein 0.0031 0.1459 0.1176
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0013 0.0425 0.0227
Echinococcus granulosus acetylcholinesterase 0.0184 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0031 0.1459 0.1459
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0013 0.0425 0.1197
Brugia malayi hypothetical protein 0.0034 0.1624 0.1353
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2805 0.2655
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.2371 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.3389 0.427
Trichomonas vaginalis spcc417.12 protein, putative 0.0031 0.1459 0.5873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2805 0.2655
Loa Loa (eye worm) hypothetical protein 0.0034 0.1624 0.1346
Entamoeba histolytica thioredoxin reductase, putative 0.0013 0.0425 0.5
Echinococcus multilocularis neuroligin 0.0031 0.1459 0.1282
Echinococcus granulosus c4b binding protein beta chain 0.0034 0.1624 0.145
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0013 0.0425 0.5
Entamoeba histolytica disulphide oxidoreductase, putative 0.0013 0.0425 0.5
Plasmodium falciparum glutathione reductase 0.0047 0.2371 0.2803
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0047 0.2371 0.2803
Onchocerca volvulus 0.0035 0.1658 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.2371 0.2803
Brugia malayi hypothetical protein 0.0034 0.1624 0.1353
Treponema pallidum NADH oxidase 0.0047 0.2371 1
Brugia malayi hypothetical protein 0.0034 0.1624 0.1353
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0047 0.2371 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1624 0.1346
Loa Loa (eye worm) hypothetical protein 0.0034 0.1624 0.1346
Schistosoma mansoni glutamate synthase 0.0013 0.0425 0.0425
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0047 0.2371 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2371 0.2803
Toxoplasma gondii thioredoxin reductase 0.0137 0.7366 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.2371 0.2803
Trichomonas vaginalis apoptosis inducing factor, putative 0.0013 0.0425 0.1197
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0013 0.0425 0.1197

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1312 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) 0.5012 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 19.9526 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 26.8545 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

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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