Detailed information for compound 1393004

Basic information

Technical information
  • TDR Targets ID: 1393004
  • Name: 2-[4-methyl-5-(2-oxo-2-phenylethyl)sulfanyl-1 ,2,4-triazol-3-yl]-N-phenylacetamide
  • MW: 366.437 | Formula: C19H18N4O2S
  • H donors: 1 H acceptors: 4 LogP: 2.49 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1nnc(n1C)SCC(=O)c1ccccc1)Nc1ccccc1
  • InChi: 1S/C19H18N4O2S/c1-23-17(12-18(25)20-15-10-6-3-7-11-15)21-22-19(23)26-13-16(24)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,25)
  • InChiKey: VNUAONUJHHDLED-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-methyl-5-(2-oxo-2-phenyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide
  • 2-[4-methyl-5-[(2-oxo-2-phenylethyl)thio]-1,2,4-triazol-3-yl]-N-phenylacetamide
  • 2-[5-[(2-keto-2-phenyl-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide
  • 2-[4-methyl-5-(2-oxo-2-phenyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide
  • 2-{4-methyl-5-[(2-oxo-2-phenylethyl)thio]-4H-1,2,4-triazol-3-yl}-N-phenylacetamide
  • MLS000051242
  • SMR000079230
  • ZINC01074501

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor 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
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0059 0.0059
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0059 0.0115
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0059 0.0115
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0304 0.2073
Brugia malayi nuclear hormone receptor 0.0012 0.0059 0.0115
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2517 0.5464
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0059 0.0403
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0149 0.1468 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0291 0.0565
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0059 0.0115
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0059 0.0115
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0059 0.0403
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0149 0.1468 0.2853
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0059 0.0128
Brugia malayi Peptidase family M1 containing protein 0.0052 0.0473 0.0919
Loa Loa (eye worm) hypothetical protein 0.0052 0.0473 0.1027
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0687 0.2154
Brugia malayi TATA binding protein associated factor 0.0052 0.0473 0.0919
Brugia malayi ecdysteroid receptor 0.0012 0.0059 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0059 0.0115
Entamoeba histolytica aminopeptidase, putative 0.0149 0.1468 0.5
Toxoplasma gondii aminopeptidase n, putative 0.0052 0.0473 0.4408
Loa Loa (eye worm) hypothetical protein 0.0097 0.0929 0.2016
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0059 0.0403
Trypanosoma cruzi Aminopeptidase M1, putative 0.0149 0.1468 1
Brugia malayi steroid hormone receptor 0.0012 0.0059 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0059 0.0115
Onchocerca volvulus 0.0052 0.0473 0.0814
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0149 0.1468 0.4144
Loa Loa (eye worm) TATA binding protein associated factor 0.0052 0.0473 0.1027
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0149 0.1468 0.1468
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0149 0.1468 0.1468
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0052 0.0473 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0052 0.0473 0.3223
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0052 0.0473 0.0919
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0059 0.0115
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0566 0.0935
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0128
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0059 0.0059
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0566 0.0935
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0566 0.0388
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0128
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0052 0.0473 0.1027
Trypanosoma brucei Aminopeptidase M1, putative 0.0149 0.1468 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0059 0.0128
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0128
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0059 0.0115
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0059 0.0059
Brugia malayi MAP kinase sur-1 0.0062 0.0566 0.11
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0059 0.0115
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0304 0.2073
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0052 0.0473 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0566 0.1229
Schistosoma mansoni coup transcription factor 0.0012 0.0059 0.0403
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0566 0.3857
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0059 0.0128
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0059 0.0059
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0149 0.1468 0.2853
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0687 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0128
Loa Loa (eye worm) aminopeptidase N 0.0149 0.1468 0.3187
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0059 0.0403
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0304 0.0591
Loa Loa (eye worm) hypothetical protein 0.0358 0.3612 0.784
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.0036 0.0304 0.0661
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0149 0.1468 0.2853
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0128
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0687 0.0687
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0304 0.2073
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0059 0.0059
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0052 0.0473 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0149 0.1468 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0059 0.0115
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0687 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0566 0.0566
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0687 0.2154
Loa Loa (eye worm) hypothetical protein 0.0097 0.0929 0.2016
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0566 0.6836
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0059 0.0403
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0059 0.0128
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0052 0.0473 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0059 0.0403
Brugia malayi Pre-SET motif family protein 0.0036 0.0304 0.0591
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0052 0.0473 0.0919
Trypanosoma brucei protein kinase, putative 0.0062 0.0566 0.0935
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0059 0.0115
Brugia malayi Peptidase family M1 containing protein 0.0149 0.1468 0.2853
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0059 0.0128
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0687 0.2154
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0687 0.1336
Onchocerca volvulus 0.0149 0.1468 0.277
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0566 0.0935
Onchocerca volvulus 0.0507 0.5146 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0059 0.0115
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0566 0.0935
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0149 0.1468 0.4144
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0097 0.0929 0.0929
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0128
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0149 0.1468 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0566 0.0935
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0149 0.1468 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.041 0.4151 0.9011
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0059 0.0115
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0059 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0059 0.0115
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0059 0.0115
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0566 0.0388
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0059 0.0115
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0566 0.0935
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0566 0.11
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0566 0.0388
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0059 0.0115
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0059 0.0059
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0566 0.0935
Brugia malayi hypothetical protein 0.0052 0.0473 0.0919
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0128
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0304 0.2073
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0149 0.1468 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0059 0.0059
Echinococcus granulosus leukotriene A 4 hydrolase 0.0052 0.0473 0.0919
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0059 0.0403
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0059 0.0115
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0149 0.1468 0.1468
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0097 0.0929 0.4578
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0566 0.0566
Toxoplasma gondii aminopeptidase N, putative 0.0052 0.0473 0.4408
Loa Loa (eye worm) hypothetical protein 0.0052 0.0473 0.1027
Loa Loa (eye worm) hypothetical protein 0.0455 0.4607 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0149 0.1468 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0687 0.4683
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0566 0.5
Onchocerca volvulus 0.0036 0.0304 0.0482
Toxoplasma gondii aminopeptidase N protein 0.0052 0.0473 0.4408
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0149 0.1468 0.1468
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0059 0.0128
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0566 0.0388
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0059 0.0403
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0097 0.0929 0.6325
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0149 0.1468 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0149 0.1468 1
Schistosoma mansoni aminopeptidase A (M01 family) 0.0052 0.0473 0.3223
Echinococcus multilocularis aminopeptidase N 0.0507 0.5146 0.5146
Echinococcus granulosus aminopeptidase N 0.0507 0.5146 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0566 0.11
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0059 0.0128
Brugia malayi Peptidase family M1 containing protein 0.0507 0.5146 1
Onchocerca volvulus 0.0286 0.2874 0.5534
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0059 0.0403
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0059 0.0115
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2874 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0304 0.0304
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0059 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0059 0.0115
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0149 0.1468 0.1468
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0059 0.0403
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0149 0.1468 0.2853
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0059 0.0128
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0128
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0687 0.2154
Loa Loa (eye worm) hypothetical protein 0.0052 0.0473 0.1027
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0059 0.0115
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0059 0.0403
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0059 0.0115
Brugia malayi hypothetical protein 0.0149 0.1468 0.2853
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0052 0.0473 0.3223
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0059 0.0115
Brugia malayi nuclear receptor NHR-88 0.0012 0.0059 0.0115
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0052 0.0473 0.0473
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0687 0.4683
Mycobacterium ulcerans aminopeptidase N PepN 0.0149 0.1468 1
Brugia malayi Pre-SET motif family protein 0.0251 0.2517 0.4891
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0059 0.0115
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0149 0.1468 0.1468
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0059 0.0403

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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) 7.0795 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 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) = 39.8107 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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