Detailed information for compound 1431229

Basic information

Technical information
  • TDR Targets ID: 1431229
  • Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate
  • MW: 338.311 | Formula: C14H11FN2O5S
  • H donors: 1 H acceptors: 4 LogP: 2.89 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COC(=O)c1ccc(s1)[N+](=O)[O-])NCc1ccc(cc1)F
  • InChi: 1S/C14H11FN2O5S/c15-10-3-1-9(2-4-10)7-16-12(18)8-22-14(19)11-5-6-13(23-11)17(20)21/h1-6H,7-8H2,(H,16,18)
  • InChiKey: VPOJISYAKDCGDO-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate
  • 5-nitro-2-thiophenecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester
  • 5-nitrothiophene-2-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester
  • MLS000392456
  • SMR000261353
  • T0514-9072
  • ZINC03285646

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens SUMO1/sentrin specific peptidase 6 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens SUMO/sentrin specific peptidase family member 8 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens SUMO1/sentrin specific peptidase 7 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens caspase 3, apoptosis-related cysteine peptidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_131076 All targets in OG5_131076
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_131076 All targets in OG5_131076
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_129942 All targets in OG5_129942
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_129942 All targets in OG5_129942
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi hypothetical protein Get druggable targets OG5_129942 All targets in OG5_129942
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus sentrin specific protease 7 Get druggable targets OG5_131076 All targets in OG5_131076
Echinococcus multilocularis sentrin specific protease 8 Get druggable targets OG5_129942 All targets in OG5_129942
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_131076 All targets in OG5_131076
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_129942 All targets in OG5_129942
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K08597 sentrin-specific protease 8, putative Get druggable targets OG5_129942 All targets in OG5_129942
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_129942 All targets in OG5_129942
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Loa Loa (eye worm) Ulp1 protease Get druggable targets OG5_129942 All targets in OG5_129942
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_129942 All targets in OG5_129942
Neospora caninum hypothetical protein Get druggable targets OG5_129942 All targets in OG5_129942
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus granulosus sentrin specific protease 8 Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis Sentrin-specific protease, putative Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis sentrin specific protease 7 Get druggable targets OG5_131076 All targets in OG5_131076
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_131076 All targets in OG5_131076
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K08596 sentrin-specific protease 7, putative 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
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi Cell death protein 3 precursor caspase 3, apoptosis-related cysteine peptidase 277 aa 253 aa 38.7 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Plasmodium falciparum sentrin-specific protease 1 SUMO/sentrin specific peptidase family member 8 212 aa 197 aa 23.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0234 0.5841 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0111 0.1916 0.1887
Echinococcus multilocularis sentrin specific protease 8 0.0111 0.1916 0.1887
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.2003 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0234 0.5841 1
Loa Loa (eye worm) hypothetical protein 0.018 0.4119 0.431
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2003 0.3238
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0703 0.0552
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0703 0.0552
Trichomonas vaginalis conserved hypothetical protein 0.0234 0.5841 1
Leishmania major monoglyceride lipase, putative 0.0234 0.5841 0.5526
Echinococcus multilocularis caspase 3 0.0088 0.1166 0.1061
Plasmodium falciparum esterase, putative 0.0234 0.5841 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0456 0.028
Echinococcus multilocularis muscleblind protein 0.018 0.4119 0.431
Brugia malayi Muscleblind-like protein 0.018 0.4119 0.431
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2003 0.3238
Echinococcus multilocularis expressed conserved protein 0.0163 0.3558 0.3693
Trypanosoma brucei monoglyceride lipase, putative 0.0234 0.5841 0.5841
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0234 0.5841 1
Trypanosoma brucei polo-like protein kinase 0.0114 0.2003 0.2003
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2003 0.3238
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Trypanosoma cruzi hypothetical protein 0.0111 0.1916 0.1916
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.3871 0.3871
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.2003 0.1982
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0456 0.028
Plasmodium falciparum lysophospholipase, putative 0.0234 0.5841 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0234 0.5841 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.4493 0.7376
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2003 0.3238
Echinococcus granulosus fatty acid amide hydrolase 1 0.0342 0.929 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.4119 0.431
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3871 0.3407
Echinococcus granulosus fatty acid amide hydrolase 1 0.0342 0.929 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0234 0.5841 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0456 0.028
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0703 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0456 0.0273
Schistosoma mansoni caspase-3 (C14 family) 0.012 0.2188 0.2128
Trichomonas vaginalis Sentrin-specific protease, putative 0.0111 0.1916 0.3085
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0234 0.5841 1
Mycobacterium ulcerans hypothetical protein 0.0234 0.5841 1
Brugia malayi amidase 0.0342 0.929 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0342 0.929 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3871 0.3871
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0703 0.0537
Schistosoma mansoni caspase-7 (C14 family) 0.012 0.2188 0.2128
Plasmodium falciparum lysophospholipase, putative 0.0234 0.5841 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0703 0.0537
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0456 0.028
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0111 0.1916 0.1837
Plasmodium falciparum lysophospholipase, putative 0.0234 0.5841 0.5
Echinococcus granulosus caspase 0.012 0.2188 0.2186
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0342 0.929 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0234 0.5841 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0342 0.929 0.9737
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0456 0.028
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0234 0.5841 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0234 0.5841 0.5841
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.012 0.2188 0.2186
Giardia lamblia Kinase, PLK 0.0114 0.2003 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0234 0.5841 0.5
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0111 0.1916 0.3085
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0111 0.1916 0.3085
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2003 0.3238
Loa Loa (eye worm) hypothetical protein 0.0342 0.929 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.2003 0.193
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.021 0.5049 0.7982
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2003 0.3238
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0234 0.5841 1
Echinococcus granulosus sentrin specific protease 7 0.021 0.5049 0.5333
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.5606 0.5946
Echinococcus multilocularis sentrin specific protease 7 0.021 0.5049 0.5333
Loa Loa (eye worm) MBCTL1 0.0066 0.0456 0.028
Loa Loa (eye worm) hypothetical protein 0.018 0.4119 0.431
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0358 0.0358
Plasmodium vivax PST-A protein 0.0234 0.5841 0.5
Echinococcus granulosus muscleblind protein 0.018 0.4119 0.431
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0111 0.1916 0.3085
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.2003 0.2003
Schistosoma mansoni kinase 0.0058 0.0213 0.0013
Echinococcus granulosus expressed conserved protein 0.0163 0.3558 0.3693
Echinococcus granulosus sentrin specific protease 8 0.0111 0.1916 0.1887
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Mycobacterium ulcerans lysophospholipase 0.0234 0.5841 1
Schistosoma mansoni hypothetical protein 0.035 0.9536 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.2003 0.2003
Schistosoma mansoni amidase 0.0342 0.929 0.9737
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.021 0.5049 0.5193
Mycobacterium ulcerans hypothetical protein 0.0192 0.4493 0.7376
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2003 0.3238
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.2003 0.1982
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.2003 0.0221
Echinococcus granulosus caspase 3 0.0088 0.1166 0.1061
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.012 0.2188 0.2186
Loa Loa (eye worm) Ulp1 protease 0.0111 0.1916 0.1887
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.2003 0.1398
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.2003 0.1982
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0234 0.5841 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0456 0.028
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.2003 0.1982
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.5606 0.5946
Echinococcus multilocularis caspase 0.012 0.2188 0.2186
Trypanosoma brucei monoglyceride lipase, putative 0.0234 0.5841 0.5841

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 27.235 uM PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response assay for activators of Methionine sulfoxide reductase A (MsrA). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 3.68 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) = 3.72 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
IC50 (functional) = 6.18 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) = 9.32 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
Potency (functional) 0.6702 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.7456 uM PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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