Detailed information for compound 595578

Basic information

Technical information
  • TDR Targets ID: 595578
  • Name: 1-(3,6-dibromocarbazol-9-yl)-3-(furan-2-ylmet hylamino)propan-2-ol
  • MW: 478.177 | Formula: C20H18Br2N2O2
  • H donors: 2 H acceptors: 1 LogP: 4.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CNCc1ccco1
  • InChi: 1S/C20H18Br2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h1-9,15,23,25H,10-12H2
  • InChiKey: BSYTXNNGKZNYPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,6-dibromocarbazol-9-yl)-3-(2-furylmethylamino)propan-2-ol
  • 1-(3,6-dibromo-9-carbazolyl)-3-(2-furylmethylamino)propan-2-ol
  • 1-(3,6-Dibromo-carbazol-9-yl)-3-[(furan-2-ylmethyl)-amino]-propan-2-ol
  • BAS 01117296
  • Oprea1_179533
  • Oprea1_393962
  • MLS000525994
  • SMR000116468
  • STOCK1S-94809

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp 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
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
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 transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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 falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense isocitrate dehydrogenase, 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
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
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
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi 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
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei isocitrate dehydrogenase, 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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0244 0.0163
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0091 0.0782 0.2011
Schistosoma mansoni lipoxygenase 0.0142 0.1418 0.1347
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0091 0.0782 0.2011
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0315 0.3559 0.3505
Brugia malayi NADH-dependent xylose reductase 0.0091 0.0782 0.2011
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0896 0.0821
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0244 0.0163
Onchocerca volvulus 0.0315 0.3559 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0091 0.0782 0.1796
Loa Loa (eye worm) oxidoreductase 0.0315 0.3559 1
Schistosoma mansoni potassium channel beta 0.0091 0.0782 0.0705
Schistosoma mansoni pol-related 0.0315 0.3559 0.3505
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.1591 0.4339
Echinococcus multilocularis aldehyde reductase 0.0224 0.2427 0.2364
Onchocerca volvulus 0.0315 0.3559 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0091 0.0782 0.1796
Mycobacterium ulcerans hypothetical protein 0.0091 0.0782 0.2197
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0315 0.3559 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Leishmania major basic transcription factor 3a, putative 0.0042 0.0174 0.0488
Giardia lamblia Aldose reductase 0.0315 0.3559 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0174 0.0262
Onchocerca volvulus 0.01 0.0896 0.2341
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0244 0.0163
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0397 0.0904
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0 0.5
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0896 0.0821
Trichomonas vaginalis aldo-keto reductase, putative 0.0091 0.0782 0.1796
Echinococcus multilocularis muscleblind protein 0.0156 0.1591 0.1521
Trypanosoma brucei prostaglandin f synthase 0.0315 0.3559 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0315 0.3559 0.3505
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0244 0.0163
Echinococcus granulosus aldehyde reductase 0.0224 0.2427 0.2364
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Onchocerca volvulus 0.0091 0.0782 0.2011
Echinococcus multilocularis aldo keto reductase 0.0315 0.3559 0.3505
Echinococcus multilocularis voltage gated potassium channel subunit 0.0091 0.0782 0.0705
Schistosoma mansoni aldo-keto reductase 0.0315 0.3559 0.3505
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0 0.5
Onchocerca volvulus 0.0315 0.3559 1
Onchocerca volvulus 0.0315 0.3559 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0397 0.0904
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0174 0.0488
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0315 0.3559 0.3505
Schistosoma mansoni aldo-keto reductase 0.0315 0.3559 0.3505
Loa Loa (eye worm) oxidoreductase 0.0315 0.3559 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0315 0.3559 1
Mycobacterium tuberculosis Conserved protein 0.0091 0.0782 0.2197
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.1418 0.1347
Trypanosoma cruzi aldo-keto reductase 0.0315 0.3559 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.016 0.0224
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0091 0.0782 0.2197
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0315 0.3559 1
Echinococcus multilocularis aldo keto reductase 0.0315 0.3559 0.3505
Echinococcus granulosus hypothetical protein 0.0315 0.3559 0.3505
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0091 0.0782 0.2197
Onchocerca volvulus 0.0315 0.3559 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0091 0.0782 0.2197
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Toxoplasma gondii aldo-keto reductase 0.0091 0.0782 0.2197
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0315 0.3559 1
Entamoeba histolytica hypothetical protein 0.0042 0.0174 0.0488
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.1418 0.1347
Brugia malayi beta-NAC-like protein 0.0042 0.0174 0.0262
Onchocerca volvulus 0.0315 0.3559 1
Entamoeba histolytica aldose reductase, putative 0.0315 0.3559 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0244 0.0464
Schistosoma mansoni hypothetical protein 0.0041 0.016 0.0078
Mycobacterium leprae Conserved hypothetical protein 0.0224 0.2427 0.6818
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0315 0.3559 0.3505
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0244 0.0163
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Echinococcus granulosus aldo keto reductase 0.0315 0.3559 0.3505
Mycobacterium leprae Possible oxidoreductase 0.0091 0.0782 0.2197
Brugia malayi Muscleblind-like protein 0.0156 0.1591 0.4339
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0244 0.0464
Echinococcus granulosus muscleblind protein 0.0156 0.1591 0.1521
Entamoeba histolytica aldose reductase, putative 0.0315 0.3559 1
Plasmodium vivax aldehyde reductase, putative 0.0091 0.0782 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0397 0.0904
Plasmodium falciparum aldo-keto reductase, putative 0.0091 0.0782 1
Loa Loa (eye worm) hypothetical protein 0.0315 0.3559 1
Trypanosoma brucei aldo/keto reductase, putative 0.0091 0.0782 0.2197
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.0174 0.2222
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Loa Loa (eye worm) oxidoreductase 0.0315 0.3559 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0896 0.0821
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0315 0.3559 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0244 0.0163
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0315 0.3559 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0315 0.3559 1
Plasmodium falciparum aldehyde reductase, putative 0.0091 0.0782 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0315 0.3559 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Entamoeba histolytica aldose reductase, putative 0.0315 0.3559 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0091 0.0782 0.1796
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Echinococcus multilocularis muscleblind protein 1 0.0156 0.1591 0.1521
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Echinococcus granulosus aldo keto reductase 0.0315 0.3559 0.3505
Entamoeba histolytica alcohol dehydrogenase, putative 0.0091 0.0782 0.2197
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0315 0.3559 0.3505
Echinococcus multilocularis aldo keto reductase 0.0315 0.3559 0.3505
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Toxoplasma gondii aldose reductase, putative 0.0315 0.3559 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0091 0.0782 0.0705
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0315 0.3559 0.3505
Trichomonas vaginalis aldo/keto reductase, putative 0.0315 0.3559 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.016 0.0224
Loa Loa (eye worm) oxidoreductase 0.0315 0.3559 1
Mycobacterium ulcerans oxidoreductase 0.0315 0.3559 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0315 0.3559 1
Echinococcus multilocularis transcription factor btf3 0.0042 0.0174 0.0092
Schistosoma mansoni transcription factor btf3 0.0042 0.0174 0.0092
Trypanosoma brucei aldo-keto reductase, putative 0.0315 0.3559 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0315 0.3559 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0315 0.3559 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0091 0.0782 0.2197
Loa Loa (eye worm) hypothetical protein 0.01 0.0896 0.2341
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0315 0.3559 0.3505
Echinococcus granulosus transcription factor btf3 0.0042 0.0174 0.0092
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0315 0.3559 0.3505
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.0174 0.0488
Leishmania major aldo-keto reductase-like protein 0.0315 0.3559 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0315 0.3559 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0896 0.2341
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0315 0.3559 0.3505
Schistosoma mansoni lipoxygenase 0.01 0.0886 0.081
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0315 0.3559 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0315 0.3559 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Echinococcus granulosus aldo keto reductase 0.0315 0.3559 0.3505
Trypanosoma cruzi aldo/keto reductase, putative 0.0315 0.3559 1
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0782 0.1796
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0397 0.0904
Loa Loa (eye worm) hypothetical protein 0.0156 0.1591 0.4339
Echinococcus multilocularis aldo keto reductase 0.0315 0.3559 0.3505
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.0174 0.2222
Leishmania major prostaglandin f synthase, putative 0.0315 0.3559 1
Giardia lamblia Aldose reductase 0.0315 0.3559 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.0091 0.0782 0.1796
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0091 0.0782 0.0705
Loa Loa (eye worm) oxidoreductase 0.0315 0.3559 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0315 0.3559 0.3505
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0091 0.0782 1
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.0174 0.0488
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0244 0.0163

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 5.852 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) > 150 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) > 260 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224] ChEMBL. No reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 2.56 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 3.41 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 5.15 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 10 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 72 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 92 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 4.26 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -3 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 10 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 72 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 92 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
Potency (functional) 0.2936 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) 0.8913 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 8.9125 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) = 10 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 11.2202 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 for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) 23.1093 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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) 28.1838 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 31.6228 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) 32.6427 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 (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 35.4813 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
XC50 (functional) = 5.97 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 1.07304 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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

1 literature reference was collected for this gene.

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