Detailed information for compound 1393515

Basic information

Technical information
  • TDR Targets ID: 1393515
  • Name: 2-[[5-[5-amino-1-(3,4-dimethylphenyl)pyrazol- 4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclop entylacetamide
  • MW: 412.509 | Formula: C20H24N6O2S
  • H donors: 2 H acceptors: 4 LogP: 3.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCC1)CSc1nnc(o1)c1cnn(c1N)c1ccc(c(c1)C)C
  • InChi: 1S/C20H24N6O2S/c1-12-7-8-15(9-13(12)2)26-18(21)16(10-22-26)19-24-25-20(28-19)29-11-17(27)23-14-5-3-4-6-14/h7-10,14H,3-6,11,21H2,1-2H3,(H,23,27)
  • InChiKey: QLAGVUHXLMHSTI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-[5-amino-1-(3,4-dimethylphenyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentyl-acetamide
  • 2-[[5-[5-amino-1-(3,4-dimethylphenyl)-4-pyrazolyl]-1,3,4-oxadiazol-2-yl]thio]-N-cyclopentylacetamide
  • 2-[[5-[5-amino-1-(3,4-dimethylphenyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]thio]-N-cyclopentyl-acetamide
  • 2-[[5-[5-amino-1-(3,4-dimethylphenyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentyl-ethanamide
  • SMR000000863
  • ASN 09858869
  • ZINC01352423
  • 2-{5-[5-Amino-1-(3,4-dimethyl-phenyl)-1H-pyrazol-4-yl]-[1,3,4]oxadiazol-2-ylsulfanyl}-N-cyclopentyl-acetamide
  • MLS000075716

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 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
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 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
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis CMGC family protein kinase 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
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 infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MAP kinase sur-1 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
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei mitogen activated protein kinase 4, putative 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus mitogen activated protein kinase 3 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 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
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
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 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major hypothetical protein, conserved 0.0071 0.0608 0.1503
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0071 0.1169
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0036 0.0597
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.051 0.051
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.051 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0071 0.1169
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.051 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0071 0.0071
Echinococcus multilocularis lamin 0.0033 0.0211 0.0211
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0404 0.0932
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0211 0.0379
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0404 0.0932
Brugia malayi prolyl 4-hydroxylase 0.0071 0.0608 0.4458
Echinococcus granulosus lamin 0.0033 0.0211 0.3461
Schistosoma mansoni lamin 0.0033 0.0211 0.3461
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.3645 1
Loa Loa (eye worm) prolyl 4-hydroxylase 2 0.0071 0.0608 0.1095
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0071 0.0071
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0071 0.5
Trypanosoma brucei protein kinase, putative 0.0062 0.051 0.1228
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.051 0.1228
Schistosoma mansoni lamin 0.0033 0.0211 0.3461
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0071 0.0608 0.1503
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0071 0.0608 0.1503
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0404 0.0932
Loa Loa (eye worm) hypothetical protein 0.0015 0.003 0.0054
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.051 0.1228
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.051 0.1228
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0071 0.0521
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1365 0.2457
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0071 0.0608 0.0673
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3645 1
Brugia malayi MAP kinase sur-1 0.0062 0.051 0.3738
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.051 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.0211 0.3461
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3645 1
Echinococcus multilocularis prolyl 4 hydroxylase subunit alpha 1 0.0071 0.0608 0.0608
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0071 0.0128
Toxoplasma gondii hypoxia- inducible factor prolyl hydroxylase (phd2), putative 0.0071 0.0608 0.0673
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0071 0.0071
Echinococcus granulosus prolyl 4 hydroxylase subunit alpha 1 0.0071 0.0608 1
Toxoplasma gondii hypothetical protein 0.0059 0.0482 0.0515
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.051 0.0919
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0054 0.0098
Mycobacterium ulcerans hypothetical protein 0.0192 0.186 0.5
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.079 0.8048 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0404 0.0932
Loa Loa (eye worm) hypothetical protein 0.0032 0.0204 0.0368
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1365 0.2457
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.051 0.1228
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.051 0.055
Echinococcus multilocularis lamin dm0 0.0033 0.0211 0.0211
Schistosoma mansoni intermediate filament proteins 0.0033 0.0211 0.3461
Brugia malayi intermediate filament protein 0.0033 0.0211 0.1543
Loa Loa (eye worm) hypothetical protein 0.0016 0.0036 0.0065
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.051 0.8386
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.052 0.1256
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0211 0.0379
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0071 0.0608 0.0673
Leishmania major hypothetical protein, unknown function 0.0071 0.0608 0.1503
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0211 0.1543
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0071 0.5
Echinococcus multilocularis musashi 0.0033 0.0211 0.0211
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0071 0.0071
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0071 0.0608 0.1095
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0071 0.0608 0.1503
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.051 0.1228
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.051 0.051
Toxoplasma gondii tetratricopeptide repeat-containing protein 0.0071 0.0608 0.0673
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1659 0.4442
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1659 0.4442
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0054 0.0397
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.3645 1
Echinococcus granulosus lamin dm0 0.0033 0.0211 0.3461
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.051 0.8386
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0036 0.0036
Onchocerca volvulus 0.0071 0.0608 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.003 0.0054
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.051 0.1228
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1659 0.4442
Brugia malayi isocitrate dehydrogenase 0.0019 0.0071 0.0521
Onchocerca volvulus 0.0033 0.0211 0.3461
Onchocerca volvulus 0.0033 0.0211 0.3461
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.051 0.8386
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.051 0.1228
Loa Loa (eye worm) hypothetical protein 0.0549 0.5553 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.051 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.051 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.1365 1
Schistosoma mansoni prolyl 4-hydroxylase alpha subunit 1 0.0071 0.0608 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.186 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0211 0.0379

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1259 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 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) 11.6891 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 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) 30.1313 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) 35.4813 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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