Detailed information for compound 1301431

Basic information

Technical information
  • TDR Targets ID: 1301431
  • Name: 3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazole-1 -carbothioamide
  • MW: 261.303 | Formula: C11H11N5OS
  • H donors: 1 H acceptors: 1 LogP: 2.12 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=NN(C(=O)C1N=Nc1ccccc1)C(=S)N
  • InChi: 1S/C11H11N5OS/c1-7-9(10(17)16(15-7)11(12)18)14-13-8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,12,18)
  • InChiKey: PQYCXBIKLGOVNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methyl-5-oxo-4-phenylazo-4H-pyrazole-1-carbothioamide
  • 5-keto-3-methyl-4-phenylazo-4H-pyrazole-1-carbothioamide
  • MLS000709346
  • SMR000290013
  • BAS 00387946
  • 3-Methyl-5-oxo-4-phenylazo-4,5-dihydro-pyrazole-1-carbothioic acid amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens caspase 3, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL No references
Homo sapiens SUMO1/sentrin specific peptidase 7 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_131076 All targets in OG5_131076
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis sentrin specific protease 7 Get druggable targets OG5_131076 All targets in OG5_131076
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_131076 All targets in OG5_131076
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_131076 All targets in OG5_131076
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_131076 All targets in OG5_131076
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 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
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K08596 sentrin-specific protease 7, putative Get druggable targets OG5_131076 All targets in OG5_131076
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus sentrin specific protease 7 Get druggable targets OG5_131076 All targets in OG5_131076
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 %
Brugia malayi Cell death protein 3 precursor caspase 3, apoptosis-related cysteine peptidase 277 aa 253 aa 38.7 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
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 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis sentrin specific protease 7 0.0178 0.1673 0.1627
Schistosoma mansoni caspase-7 (C14 family) 0.0032 0.0152 0.0115
Schistosoma mansoni intermediate filament proteins 0.0033 0.0157 0.0122
Trypanosoma brucei metacaspase MCA2 0.0032 0.0152 0.2358
Trypanosoma brucei metacaspase 0.0032 0.0152 0.2358
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0256 0.2477 0.3013
Brugia malayi Isocitrate dehydrogenase 0.0062 0.0467 0.0568
Echinococcus granulosus tar DNA binding protein 0.0565 0.5694 0.6691
Loa Loa (eye worm) MH2 domain-containing protein 0.0032 0.0155 0.0188
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0152 0.3299
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0152 0.2358
Echinococcus multilocularis GPCR, family 2 0.0256 0.2477 0.2436
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0112 0.1395
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.1055 0.6179
Toxoplasma gondii isocitrate dehydrogenase 0.0062 0.0467 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0112 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.1055 0.1283
Echinococcus multilocularis muscleblind protein 0.018 0.1694 0.1648
Brugia malayi isocitrate dehydrogenase 0.0062 0.0467 0.0568
Onchocerca volvulus 0.01 0.0863 0.1563
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0062 0.0467 0.0414
Brugia malayi hypothetical protein 0.002 0.0023 0.0028
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0062 0.0467 1
Loa Loa (eye worm) TAR-binding protein 0.0565 0.5694 0.6926
Leishmania major hypothetical protein, conserved 0.003 0.0135 0.1951
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0808 0.8221 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1694 0.2061
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0256 0.2477 0.2874
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0112 0.1395
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0062 0.0467 1
Echinococcus granulosus caspase 3 0.0088 0.0732 0.0803
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0256 0.2477 0.2436
Schistosoma mansoni lamin 0.0033 0.0157 0.0122
Echinococcus multilocularis caspase 8 0.0032 0.0152 0.0098
Echinococcus granulosus expressed conserved protein 0.0163 0.1511 0.1728
Brugia malayi Cell death protein 3 precursor 0.0032 0.0152 0.0185
Schistosoma mansoni smad1 5 8 and 0.0032 0.0155 0.0119
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0178 0.1673 1
Echinococcus multilocularis protein patched 0.0051 0.0349 0.0296
Loa Loa (eye worm) isocitrate dehydrogenase 0.0062 0.0467 0.0568
Trypanosoma cruzi metacaspase, putative 0.0032 0.0152 0.2358
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0863 0.0958
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0112 0.1395
Echinococcus multilocularis protein dispatched 1 0.0058 0.0424 0.0371
Loa Loa (eye worm) Smad1 0.0032 0.0155 0.0188
Echinococcus multilocularis lamin 0.0033 0.0157 0.0103
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0135 0.1951
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0349 0.0349
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0152 0.3299
Brugia malayi hypothetical protein 0.0043 0.027 0.0329
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0062 0.0467 0.0414
Plasmodium vivax metacaspase 1, putative 0.0032 0.0152 0.2358
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.012 0.1065 0.1016
Trypanosoma brucei metacaspase MCA3 0.0032 0.0152 0.2358
Schistosoma mansoni hypothetical protein 0.0049 0.033 0.0327
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0157 0.0191
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0565 0.5694 0.6926
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0062 0.0467 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0152 0.2358
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0152 0.2358
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0152 0.2358
Brugia malayi Smad1 0.0032 0.0155 0.0188
Echinococcus granulosus muscleblind protein 0.018 0.1694 0.1945
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.1055 0.1186
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0184
Echinococcus multilocularis caspase 3 0.0088 0.0732 0.0681
Toxoplasma gondii isocitrate dehydrogenase 0.0062 0.0467 1
Echinococcus multilocularis tar DNA binding protein 0.0565 0.5694 0.567
Trypanosoma cruzi metacaspase, putative 0.0032 0.0152 0.2358
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0135 0.1951
Brugia malayi MH1 domain containing protein 0.0018 0.0004 0.0005
Brugia malayi latrophilin 2 splice variant baaae 0.0552 0.5563 0.6766
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0808 0.8221 1
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1585 0.1539
Echinococcus multilocularis mothers against decapentaplegic 5 0.0032 0.0155 0.01
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0062 0.0467 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.1694 0.1648
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0152 0.3299
Loa Loa (eye worm) MH1 domain-containing protein 0.0032 0.0155 0.0188
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0152 0.3299
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8483 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0112 0.1395
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.1074 0.1209
Leishmania major metacaspase, putative 0.0032 0.0152 0.2358
Brugia malayi TAR-binding protein 0.0565 0.5694 0.6926
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0152 0.3299
Loa Loa (eye worm) hypothetical protein 0.0033 0.0157 0.0191
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0349 0.0296
Loa Loa (eye worm) hypothetical protein 0.0552 0.5563 0.6766
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0062 0.0467 0.0414
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.027 0.0256
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0863 0.0958
Loa Loa (eye worm) RNA binding protein 0.0565 0.5694 0.6926
Echinococcus granulosus TGF beta signal transducer SmadC 0.0032 0.0155 0.0119
Echinococcus multilocularis expressed conserved protein 0.0112 0.098 0.093
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0135 0.1951
Loa Loa (eye worm) hypothetical protein 0.0256 0.2477 0.3013
Echinococcus multilocularis caspase 0.012 0.1065 0.1016
Loa Loa (eye worm) MH2 domain-containing protein 0.0474 0.475 0.5778
Brugia malayi MH2 domain containing protein 0.0474 0.475 0.5778
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0055 0.0067
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0032 0.0155 0.01
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0135 0.1951
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0135 0.1951
Loa Loa (eye worm) hypothetical protein 0.018 0.1694 0.2061
Entamoeba histolytica hypothetical protein 0.0043 0.027 0.1332
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0032 0.0152 0.0115
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0112 0.5
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0112 0.1395
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0178 0.1673 0.192
Schistosoma mansoni smad 0.0032 0.0155 0.0119
Entamoeba histolytica hypothetical protein 0.0043 0.027 0.1332
Loa Loa (eye worm) hypothetical protein 0.0032 0.0152 0.0185
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0152 0.3299
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0055 0.5
Schistosoma mansoni patched 1 0.0051 0.0349 0.0349
Schistosoma mansoni caspase-7 (C14 family) 0.012 0.1065 0.1199
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0863 0.1049
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0135 0.1951
Echinococcus granulosus caspase 0.012 0.1065 0.1199
Echinococcus granulosus lamin dm0 0.0033 0.0157 0.0122
Echinococcus multilocularis musashi 0.0033 0.0157 0.0103
Echinococcus granulosus intermediate filament protein 0.0033 0.0157 0.0122
Onchocerca volvulus 0.0469 0.4697 1
Echinococcus granulosus Smad4 0.0032 0.0155 0.0119
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0062 0.0467 1
Brugia malayi MH2 domain containing protein 0.0032 0.0155 0.0188
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0055 0.0067
Echinococcus granulosus expressed conserved protein 0.0112 0.098 0.1098
Mycobacterium leprae conserved hypothetical protein 0.0028 0.0112 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0468 0.057
Schistosoma mansoni hypothetical protein 0.0256 0.2477 0.2874
Loa Loa (eye worm) hypothetical protein 0.0032 0.0152 0.0185
Schistosoma mansoni hypothetical protein 0.0049 0.033 0.0327
Schistosoma mansoni hypothetical protein 0.0049 0.033 0.0327
Echinococcus granulosus lamin 0.0033 0.0157 0.0122
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0157 0.0191
Entamoeba histolytica hypothetical protein 0.0043 0.027 0.1332
Brugia malayi Muscleblind-like protein 0.018 0.1694 0.2061
Brugia malayi CHE-14 protein 0.0051 0.0349 0.0425
Entamoeba histolytica hypothetical protein 0.0028 0.0112 0.0355
Echinococcus granulosus mothers against decapentaplegic 5 0.0032 0.0155 0.0119
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0256 0.2477 0.2874
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0112 0.1395
Schistosoma mansoni tar DNA-binding protein 0.0565 0.5694 0.6691
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.027 0.0256
Schistosoma mansoni hypothetical protein 0.0043 0.027 0.0256
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8483 0.8475
Schistosoma mansoni Smad4 0.0032 0.0155 0.0119
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0152 0.3299
Schistosoma mansoni tar DNA-binding protein 0.0565 0.5694 0.6691
Schistosoma mansoni hypothetical protein 0.0256 0.2477 0.2874
Echinococcus multilocularis lamin dm0 0.0033 0.0157 0.0103
Trypanosoma cruzi metacaspase, putative 0.0032 0.0152 0.2358
Schistosoma mansoni smad1 5 8 and 0.0032 0.0155 0.0119
Echinococcus granulosus GPCR family 2 0.0256 0.2477 0.2874
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0112 1
Entamoeba histolytica hypothetical protein 0.0043 0.027 0.1332
Loa Loa (eye worm) hypothetical protein 0.0051 0.0349 0.0425
Brugia malayi MH1 domain containing protein 0.0018 0.0004 0.0005
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0135 0.1951
Echinococcus granulosus caspase 8 0.0032 0.0152 0.0115
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0062 0.0467 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0062 0.0467 1
Schistosoma mansoni hypothetical protein 0.0049 0.033 0.0327
Schistosoma mansoni hypothetical protein 0.0256 0.2477 0.2874
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0152 0.3299
Plasmodium falciparum metacaspase-like protein 0.0032 0.0152 0.2358
Brugia malayi MH1 domain containing protein 0.0032 0.0155 0.0188
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0152 0.3299
Loa Loa (eye worm) hypothetical protein 0.0469 0.4697 0.5714
Schistosoma mansoni tar DNA-binding protein 0.0565 0.5694 0.6691
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.0018 0.0004 0.0005
Trypanosoma brucei Metacaspase-4 0.0032 0.0152 0.2358
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0863 0.0812
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0152 0.3299
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0152 0.3299
Loa Loa (eye worm) transcription factor SMAD2 0.0474 0.475 0.5778
Schistosoma mansoni hypothetical protein 0.0552 0.5563 0.6535
Echinococcus multilocularis smad 0.0032 0.0155 0.01
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0135 0.0164
Echinococcus granulosus sentrin specific protease 7 0.0178 0.1673 0.192
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1585 0.1816
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0152 0.3299
Loa Loa (eye worm) hypothetical protein 0.01 0.0863 0.1049
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0062 0.0467 0.0489
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.0808 0.8221 1
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.0152 0.2358
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0152 0.3299
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.0152 0.2358
Brugia malayi RNA binding protein 0.0565 0.5694 0.6926
Echinococcus multilocularis caspase 2 0.0032 0.0152 0.0098
Schistosoma mansoni tar DNA-binding protein 0.0565 0.5694 0.6691
Brugia malayi MH1 domain containing protein 0.0032 0.0155 0.0188
Echinococcus granulosus caspase 2 0.0032 0.0152 0.0115
Plasmodium falciparum metacaspase 1 0.0032 0.0152 0.2358
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0032 0.0152 0.0185
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0256 0.2477 0.2436
Echinococcus granulosus smad 0.0032 0.0155 0.0119
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.1055 0.1006
Brugia malayi MH2 domain containing protein 0.0032 0.0155 0.0188
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8483 1
Schistosoma mansoni lamin 0.0033 0.0157 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0152 0.3299
Echinococcus multilocularis Smad4 0.0032 0.0155 0.01
Loa Loa (eye worm) hypothetical protein 0.0119 0.1055 0.1283
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0032 0.0155 0.0119
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0349 0.0425
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0062 0.0467 1
Echinococcus multilocularis expressed conserved protein 0.0163 0.1511 0.1465
Brugia malayi hypothetical protein 0.003 0.0135 0.0164
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0062 0.0467 0.0489
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0112 0.1395
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0349 1
Loa Loa (eye worm) nuclear factor I 0.0018 0.0004 0.0005
Schistosoma mansoni smad1 5 8 and 0.0032 0.0155 0.0119
Brugia malayi Calcitonin receptor-like protein seb-1 0.0808 0.8221 1
Schistosoma mansoni hypothetical protein 0.0256 0.2477 0.2874
Schistosoma mansoni tar DNA-binding protein 0.0565 0.5694 0.6691
Brugia malayi RNA recognition motif domain containing protein 0.0565 0.5694 0.6926
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0152 0.3299
Loa Loa (eye worm) latrophilin receptor protein 2 0.0256 0.2477 0.3013
Trypanosoma cruzi metacaspase, putative 0.0032 0.0152 0.2358
Onchocerca volvulus 0.0033 0.0157 0.0012
Brugia malayi Latrophilin receptor protein 2 0.0256 0.2477 0.3013
Brugia malayi intermediate filament protein 0.0033 0.0157 0.0191
Trypanosoma brucei metacaspase 5, putative 0.0032 0.0152 0.2358
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.027 0.0217
Onchocerca volvulus 0.0033 0.0157 0.0012
Brugia malayi hypothetical protein 0.0469 0.4697 0.5714
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.012 0.1065 0.1199
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0062 0.0467 0.0414
Echinococcus multilocularis isocitrate dehydrogenase 0.0062 0.0467 0.0414
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0157 0.0191
Schistosoma mansoni caspase-3 (C14 family) 0.012 0.1065 0.1199

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.7 uM PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2599, AID434973, AID489001] ChEMBL. No reference
IC50 (functional) = 5.13 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 7 (SENP7) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434973, AID434986] ChEMBL. No reference
IC50 (functional) = 21.6 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 6 (SENP6) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2575, AID2582, AID2599] ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2575, AID2582, AID434986] ChEMBL. No reference
Potency (functional) = 0.1995 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (binding) 2.5119 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 5.6234 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 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) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3535 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) 18.3564 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor: Hit Validation with GloSensor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485386] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID492947] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 23.9341 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 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) 50.1187 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) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.