Detailed information for compound 1651809

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 279.335 | Formula: C14H21N3O3
  • H donors: 2 H acceptors: 2 LogP: 2.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N/N=C/c1ccc(cc1O)N(CC)CC
  • InChi: 1S/C14H21N3O3/c1-4-17(5-2)12-8-7-11(13(18)9-12)10-15-16-14(19)20-6-3/h7-10,18H,4-6H2,1-3H3,(H,16,19)/b15-10+
  • InChiKey: KNYPXNKCVVCJLW-XNTDXEJSSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, 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
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], 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
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 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
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase 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
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis lamin 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus lamin 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
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) isocitrate dehydrogenase 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
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni intermediate filament proteins 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Neospora caninum hypothetical protein 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
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0015 0.0023 0.023
Echinococcus granulosus dnaJ subfamily B 0.0403 0.1109 0.5885
Onchocerca volvulus 0.0058 0.0143 0.1338
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0255 0.3237
Echinococcus multilocularis 0.0252 0.0686 0.252
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0034 0.0004
Brugia malayi hypothetical protein 0.0182 0.0491 0.6277
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0034 0.0124
Echinococcus multilocularis tumor protein p63 0.0408 0.1123 0.4125
Schistosoma mansoni lamin 0.0033 0.0071 0.0379
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0032 0.0118
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.3327 0.9294 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0252 0.0686 0.5
Brugia malayi SWIRM domain containing protein 0.0252 0.0686 0.8791
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0143 0.1791
Schistosoma mansoni ap endonuclease 0.0019 0.0032 0.0171
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0029 0.0318
Echinococcus multilocularis protoporphyrinogen oxidase 0.0252 0.0686 0.252
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.078 0.4137
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.1309 0.3644 1
Toxoplasma gondii histone lysine-specific demethylase 0.0252 0.0686 0.9927
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0252 0.0686 0.181
Entamoeba histolytica fatty acid elongase, putative 0.017 0.0456 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0259 0.5362
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1309 0.3644 0.3624
Brugia malayi hypothetical protein 0.0286 0.078 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0168 0.2111
Schistosoma mansoni hypothetical protein 0.0031 0.0067 0.0357
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0071 0.086
Schistosoma mansoni microtubule-associated protein tau 0.068 0.1885 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0034 0.0124
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0032 0.0353
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0034 0.0179
Mycobacterium ulcerans monoamine oxidase 0.0252 0.0686 0.0656
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0252 0.0686 0.181
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0067 0.0248
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0024 0.0129
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0252 0.0686 0.364
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0254 0.0691 1
Schistosoma mansoni ap endonuclease 0.0019 0.0032 0.0171
Loa Loa (eye worm) hypothetical protein 0.0033 0.0071 0.086
Chlamydia trachomatis oxoacyl-ACP synthase III 0.1309 0.3644 1
Echinococcus granulosus cpg binding protein 0.003 0.0064 0.034
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0032 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0032 0.5
Loa Loa (eye worm) hypothetical protein 0.0252 0.0686 0.879
Mycobacterium ulcerans dehydrogenase 0.0252 0.0686 0.0656
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.1309 0.3644 1
Plasmodium vivax hypothetical protein, conserved 0.0252 0.0686 0.181
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1309 0.3644 0.3624
Schistosoma mansoni hypothetical protein 0.0058 0.0143 0.0761
Echinococcus granulosus lamin dm0 0.0033 0.0071 0.0379
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0259 0.5362
Loa Loa (eye worm) hypothetical protein 0.006 0.0147 0.1841
Loa Loa (eye worm) hypothetical protein 0.0252 0.0686 0.879
Loa Loa (eye worm) hypothetical protein 0.0182 0.0491 0.6276
Schistosoma mansoni lamin 0.0033 0.0071 0.0379
Schistosoma mansoni amine oxidase 0.0252 0.0686 0.364
Echinococcus granulosus geminin 0.0205 0.0553 0.2935
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0034 0.0373
Onchocerca volvulus 0.0033 0.0071 0.019
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0147 0.0783
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0252 0.0686 0.252
Trypanosoma cruzi UDP-galactopyranose mutase 0.0252 0.0686 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0179
Echinococcus multilocularis cpg binding protein 0.003 0.0064 0.0235
Onchocerca volvulus 0.0252 0.0686 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0255 0.3237
Schistosoma mansoni intermediate filament proteins 0.0033 0.0071 0.0379
Plasmodium falciparum protoporphyrinogen oxidase 0.0252 0.0686 0.181
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0067 0.0811
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0024 0.0089
Echinococcus multilocularis geminin 0.0205 0.0553 0.2032
Onchocerca volvulus 0.006 0.0147 0.1404
Schistosoma mansoni hypothetical protein 0.0031 0.0067 0.0357
Echinococcus multilocularis musashi 0.0033 0.0071 0.0263
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0034 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0034 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0255 0.3234
Onchocerca volvulus 0.0033 0.0071 0.019
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0029 0.0314
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0032 0.0357
Loa Loa (eye worm) hypothetical protein 0.0252 0.0686 0.879
Brugia malayi intermediate filament protein 0.0033 0.0071 0.0864
Schistosoma mansoni hypothetical protein 0.0031 0.0067 0.0357
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.013 0.1492
Loa Loa (eye worm) hypothetical protein 0.0015 0.0023 0.023
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0034 0.0377
Echinococcus granulosus microtubule associated protein 2 0.068 0.1885 1
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.1309 0.3644 0.3624
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0148 0.0788
Entamoeba histolytica fatty acid elongase, putative 0.017 0.0456 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0034 0.0004
Brugia malayi hypothetical protein 0.0252 0.0686 0.8791
Trypanosoma cruzi UDP-galactopyranose mutase 0.0252 0.0686 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.078 0.2865
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0124
Mycobacterium tuberculosis Possible oxidoreductase 0.0252 0.0686 0.0706
Echinococcus granulosus lamin 0.0033 0.0071 0.0379
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0034 0.0023
Loa Loa (eye worm) hypothetical protein 0.01 0.0259 0.3287
Loa Loa (eye worm) hypothetical protein 0.0252 0.0686 0.879
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2721 1
Echinococcus multilocularis lamin 0.0033 0.0071 0.0263
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0071 0.0864
Mycobacterium ulcerans oxidoreductase 0.0252 0.0686 0.0656
Onchocerca volvulus 0.0182 0.0491 0.689
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0124
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0005 0.0018
Entamoeba histolytica fatty acid elongase, putative 0.017 0.0456 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.006 0.071
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.1309 0.3644 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0252 0.0686 0.181
Loa Loa (eye worm) hypothetical protein 0.0016 0.0024 0.0251
Echinococcus granulosus tumor protein p63 0.0408 0.1123 0.5956
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0005 0.0026
Mycobacterium tuberculosis Conserved hypothetical protein 0.0252 0.0686 0.0706
Schistosoma mansoni cpg binding protein 0.003 0.0064 0.034
Schistosoma mansoni hypothetical protein 0.0205 0.0553 0.2935
Schistosoma mansoni hypothetical protein 0.0067 0.0168 0.0894
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0168 0.2114
Brugia malayi amine oxidase, flavin-containing family protein 0.0252 0.0686 0.8791
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.006 0.0706
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0067 0.0357
Schistosoma mansoni cpg binding protein 0.0028 0.006 0.0316
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0032 0.0171
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.1309 0.3644 0.39
Echinococcus granulosus lysine specific histone demethylase 1A 0.0252 0.0686 0.364
Schistosoma mansoni hypothetical protein 0.0403 0.1109 0.5885
Loa Loa (eye worm) hypothetical protein 0.0252 0.0686 0.879
Schistosoma mansoni cpg binding protein 0.003 0.0064 0.034
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0252 0.0686 0.364
Echinococcus multilocularis microtubule associated protein 2 0.068 0.1885 0.6925
Brugia malayi isocitrate dehydrogenase 0.0019 0.0034 0.0377
Loa Loa (eye worm) hypothetical protein 0.0032 0.007 0.0839
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0255 0.3234
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0034 0.0023
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0034 0.0023
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0034 0.0124
Schistosoma mansoni hypothetical protein 0.0205 0.0553 0.2935
Leishmania major UDP-galactopyranose mutase 0.0252 0.0686 1
Entamoeba histolytica fatty acid elongase, putative 0.017 0.0456 1
Schistosoma mansoni hypothetical protein 0.0031 0.0067 0.0357
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0067 0.0811
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0034 0.0023
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0067 0.0248
Echinococcus granulosus lysine specific histone demethylase 1A 0.0252 0.0686 0.364
Entamoeba histolytica fatty acid elongase, putative 0.017 0.0456 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0143 0.0761
Echinococcus multilocularis lamin dm0 0.0033 0.0071 0.0263
Schistosoma mansoni amine oxidase 0.0252 0.0686 0.364
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.3579 1 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.0067 0.0248
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0067 0.0357
Echinococcus multilocularis dnaJ subfamily B 0.0403 0.1109 0.4075
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0252 0.0686 0.181
Echinococcus granulosus intermediate filament protein 0.0033 0.0071 0.0379
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0252 0.0686 0.0656
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0067 0.0807
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0034 0.0023
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0034 0.0002
Loa Loa (eye worm) hypothetical protein 0.0031 0.0067 0.0807
Echinococcus granulosus GPCR family 2 0.0031 0.0067 0.0357
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0071 0.086
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0032 0.5
Loa Loa (eye worm) hypothetical protein 0.0252 0.0686 0.879
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0032 0.5
Plasmodium vivax hypothetical protein, conserved 0.0252 0.0686 0.181
Loa Loa (eye worm) hypothetical protein 0.0286 0.078 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 78.51 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 4.4668 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) 10 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
Potency (functional) 10.3225 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) 12.9953 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 19.9526 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 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 (binding) = 25.1189 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 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 for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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 (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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

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