Detailed information for compound 1319295

Basic information

Technical information
  • TDR Targets ID: 1319295
  • Name: (2S)-2-amino-2-ethylpentanedioic acid
  • MW: 175.182 | Formula: C7H13NO4
  • H donors: 3 H acceptors: 4 LogP: -2.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@@](C(=O)O)(CCC(=O)O)N
  • InChi: 1S/C7H13NO4/c1-2-7(8,6(11)12)4-3-5(9)10/h2-4,8H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1
  • InChiKey: QFYBYZLHPIALCZ-ZETCQYMHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-amino-2-ethyl-pentanedioic acid
  • (2S)-2-amino-2-ethyl-glutaric acid
  • EGLU
  • PDSP1_000045
  • NCGC00024911-02
  • Tocris-0971
  • NCGC00024911-01

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 APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens regulator of G-protein signaling 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Mycobacterium ulcerans aldehyde dehydrogenase 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative 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 granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni notch 0.0047 0.0803 0.0993
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0071 0.0071
Brugia malayi hypothetical protein 0.0367 0.8092 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0023 0.025 0.0308
Brugia malayi EGF-like domain containing protein 0.0047 0.0803 0.0993
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.025 0.0308
Echinococcus multilocularis lamin dm0 0.0027 0.0327 0.0327
Schistosoma mansoni hypothetical protein 0.0047 0.0803 0.0993
Echinococcus granulosus delta-like protein 1 0.0047 0.0803 0.0803
Brugia malayi Animal haem peroxidase family protein 0.0367 0.8092 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0529 0.0654
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Schistosoma mansoni ap endonuclease 0.0023 0.024 0.0296
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0247 0.1166
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.1588 0.1588
Echinococcus granulosus neurogenic locus notch protein 0.0047 0.0803 0.0803
Brugia malayi EGF-like domain containing protein 0.0047 0.0803 0.0993
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0247 0.1326
Brugia malayi Cadherin domain containing protein 0.0047 0.0803 0.0993
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Onchocerca volvulus Peroxidase homolog 0.0367 0.8092 1
Brugia malayi EGF-like domain containing protein 0.0047 0.0803 0.0993
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.1588 0.1588
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Brugia malayi notch-like transmembrane receptor 0.0047 0.0803 0.0993
Loa Loa (eye worm) hypothetical protein 0.0082 0.1588 0.1963
Onchocerca volvulus 0.0367 0.8092 1
Brugia malayi Calcium binding EGF domain containing protein 0.0047 0.0803 0.0993
Echinococcus granulosus neurogenic locus protein delta 0.0047 0.0803 0.0803
Loa Loa (eye worm) RGS-3 protein 0.0023 0.025 0.0308
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.025 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0247 0.1326
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0247 0.1326
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0047 0.0803 0.0993
Schistosoma mansoni regulator of G protein signaling 0.0023 0.025 0.0308
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0071 0.0088
Echinococcus multilocularis neurogenic locus protein delta 0.0047 0.0803 0.0803
Brugia malayi hypothetical protein 0.0023 0.025 0.0308
Echinococcus multilocularis Regulator of G protein signaling 20 0.0023 0.025 0.025
Brugia malayi A-kinase anchor protein 10, precursor 0.0023 0.025 0.0308
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0247 1
Echinococcus multilocularis neurogenic locus notch protein 0.0047 0.0803 0.0803
Onchocerca volvulus 0.0149 0.3114 0.3848
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.025 0.0308
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0529 0.0529
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0327 0.0404
Loa Loa (eye worm) notch protein 0.0047 0.0803 0.0993
Brugia malayi EGF-like domain containing protein 0.0047 0.0803 0.0993
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.024 0.9595
Brugia malayi Calcium binding EGF domain containing protein 0.0047 0.0803 0.0993
Entamoeba histolytica hypothetical protein 0.0035 0.0529 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Echinococcus multilocularis regulator of G protein signaling 0.0023 0.025 0.025
Echinococcus granulosus neural cadherin 0.0047 0.0803 0.0803
Schistosoma mansoni hypothetical protein 0.0047 0.0803 0.0993
Onchocerca volvulus 0.0047 0.0803 0.0993
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0367 0.8092 1
Brugia malayi regulator of G-protein signaling rgs-7 0.0023 0.025 0.0308
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0023 0.025 0.0308
Schistosoma mansoni cell polarity protein 0.0047 0.0803 0.0993
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.1588 0.1963
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Entamoeba histolytica hypothetical protein 0.0035 0.0529 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Onchocerca volvulus 0.0047 0.0803 0.0993
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.025 1
Echinococcus granulosus protein jagged 2 0.0047 0.0803 0.0803
Trypanosoma brucei cytochrome P450, putative 0.0016 0.0095 0.1364
Schistosoma mansoni hypothetical protein 0.0035 0.0529 0.0654
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1394 0.1394
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Brugia malayi regulator of G-protein signaling egl-10 0.0023 0.025 0.0308
Schistosoma mansoni regulator of G protein signaling 0.0023 0.025 0.0308
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.025 0.025
Brugia malayi PXA domain containing protein 0.0023 0.025 0.0308
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0023 0.025 0.025
Schistosoma mansoni peroxidasin 0.0367 0.8092 1
Brugia malayi EGF-like domain containing protein 0.0047 0.0803 0.0993
Brugia malayi Muscle positioning protein 4 0.0047 0.0803 0.0993
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.024 0.0296
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.025 0.0308
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2402 0.2968
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0023 0.025 0.0308
Loa Loa (eye worm) hypothetical protein 0.0012 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Loa Loa (eye worm) hypothetical protein 0.0023 0.025 0.0308
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0027 0.0327 0.0404
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0327 0.0404
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.025 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0095 0.0118
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.024 1
Onchocerca volvulus 0.0367 0.8092 1
Echinococcus multilocularis neurogenic locus notch protein 0.0047 0.0803 0.0803
Schistosoma mansoni hypothetical protein 0.0047 0.0803 0.0993
Entamoeba histolytica hypothetical protein 0.0023 0.025 0.0344
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0247 0.5
Echinococcus granulosus lamin 0.0027 0.0327 0.0327
Schistosoma mansoni notch 0.0047 0.0803 0.0993
Brugia malayi Animal haem peroxidase family protein 0.0367 0.8092 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Echinococcus multilocularis neurogenic locus protein delta 0.0047 0.0803 0.0803
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0247 1
Schistosoma mansoni hypothetical protein 0.0047 0.0803 0.0993
Schistosoma mansoni lamin 0.0027 0.0327 0.0404
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0047 0.0803 0.0993
Loa Loa (eye worm) Notch2 0.0047 0.0803 0.0993
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1394 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0046 0.0057
Schistosoma mansoni hypothetical protein 0.0047 0.0803 0.0993
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1394 1
Echinococcus multilocularis notch 0.0047 0.0803 0.0803
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.025 0.025
Brugia malayi Blistered cuticle protein 3 0.0367 0.8092 1
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Onchocerca volvulus Peroxidasin homolog 0.0367 0.8092 1
Brugia malayi Peroxidasin 0.0367 0.8092 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0023 0.025 0.0308
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.025 0.025
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.024 1
Brugia malayi hypothetical protein 0.0023 0.025 0.0308
Schistosoma mansoni hypothetical protein 0.0047 0.0803 0.0993
Onchocerca volvulus 0.0047 0.0803 0.0993
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.025 0.025
Schistosoma mansoni laminin gamma-3 chain 0.0047 0.0803 0.0993
Schistosoma mansoni septate junction protein 0.0047 0.0803 0.0993
Brugia malayi PXA domain containing protein 0.0023 0.025 0.0308
Schistosoma mansoni z-protein (S1r protein) 0.0023 0.025 0.0308
Brugia malayi intermediate filament protein 0.0027 0.0327 0.0404
Echinococcus granulosus beta-adrenergic receptor kinase 0.0023 0.025 0.025
Brugia malayi Animal haem peroxidase family protein 0.0367 0.8092 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Echinococcus multilocularis fibropellin Ia 0.0047 0.0803 0.0803
Brugia malayi Animal haem peroxidase family protein 0.0367 0.8092 1
Loa Loa (eye worm) animal heme peroxidase 0.0367 0.8092 1
Onchocerca volvulus Peroxidase homolog 0.0367 0.8092 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0327 0.0327
Echinococcus granulosus fibropellin Ia 0.0047 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0026 0.0316 0.0391
Echinococcus granulosus slit 2 protein 0.0047 0.0803 0.0803
Schistosoma mansoni notch 0.0047 0.0803 0.0993
Brugia malayi Animal haem peroxidase family protein 0.0367 0.8092 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0247 0.1166
Giardia lamblia High cysteine protein 0.0047 0.0803 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0247 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.024 0.9595
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2402 0.2968
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0014 0.0014
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.025 0.025
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1394 0.1394
Leishmania major cytochrome p450-like protein 0.0016 0.0095 0.0181
Entamoeba histolytica hypothetical protein 0.0035 0.0529 1
Onchocerca volvulus 0.0047 0.0803 0.0993
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1394 1
Onchocerca volvulus 0.0047 0.0803 0.0993
Echinococcus granulosus lamin dm0 0.0027 0.0327 0.0327
Schistosoma mansoni regulator of G protein signaling 0.0023 0.025 0.0308
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0327 0.0404
Toxoplasma gondii exonuclease III APE 0.0023 0.024 0.1272
Onchocerca volvulus Slit protein homolog 0.0047 0.0803 0.0993
Echinococcus granulosus neurogenic locus notch protein 0.0047 0.0803 0.0803
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0247 0.1326
Echinococcus granulosus neurogenic locus notch protein 4 0.0047 0.0803 0.0803
Brugia malayi Calcium binding EGF domain containing protein 0.0047 0.0803 0.0993
Loa Loa (eye worm) animal heme peroxidase 0.0367 0.8092 1
Echinococcus multilocularis neural cadherin 0.0047 0.0803 0.0803
Loa Loa (eye worm) CYP4Cod1 0.0016 0.0095 0.0118
Brugia malayi Delta serrate ligand family protein 0.0047 0.0803 0.0993
Loa Loa (eye worm) hypothetical protein 0.0023 0.025 0.0308
Loa Loa (eye worm) animal heme peroxidase 0.0367 0.8092 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.024 0.1272
Schistosoma mansoni ap endonuclease 0.0023 0.024 0.0296
Brugia malayi EGF-like domain containing protein 0.0047 0.0803 0.0993
Onchocerca volvulus 0.0082 0.1588 0.1963
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Schistosoma mansoni notch 0.0047 0.0803 0.0993
Entamoeba histolytica hypothetical protein 0.0023 0.0247 0.0245
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0095 0.0118
Echinococcus granulosus Regulator of G protein signaling 20 0.0023 0.025 0.025
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.025 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0247 1
Brugia malayi Cadherin domain containing protein 0.0047 0.0803 0.0993
Echinococcus granulosus axis inhibition protein axin 0.0023 0.025 0.025
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.025 0.0308
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Onchocerca volvulus Chorion peroxidase homolog 0.0367 0.8092 1
Brugia malayi Cytochrome P450 family protein 0.0016 0.0095 0.0118
Loa Loa (eye worm) hypothetical protein 0.0149 0.3114 0.3848
Schistosoma mansoni hypothetical protein 0.0047 0.0803 0.0993
Echinococcus multilocularis fat cadherin tumor suppressor 0.0047 0.0803 0.0803
Schistosoma mansoni peroxidasin 0.0367 0.8092 1
Loa Loa (eye worm) animal heme peroxidase 0.0367 0.8092 1
Echinococcus granulosus axis inhibition protein axin 0.0023 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0013 0.0014 0.0017
Schistosoma mansoni regulator of G protein signaling 0.0023 0.025 0.0308
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1394 0.1722
Schistosoma mansoni intermediate filament proteins 0.0027 0.0327 0.0404
Schistosoma mansoni lamin 0.0027 0.0327 0.0404
Echinococcus granulosus protein jagged 1 0.0047 0.0803 0.0803
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0095 0.1421
Schistosoma mansoni axis inhibition protein axin 0.0023 0.025 0.0308
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Echinococcus granulosus notch 0.0047 0.0803 0.0803
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.025 1
Echinococcus multilocularis protein jagged 1 0.0047 0.0803 0.0803
Echinococcus multilocularis peroxidasin 0.0367 0.8092 0.8092
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Echinococcus granulosus protein jagged 2 0.0047 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Schistosoma mansoni axis inhibition protein axin 0.0023 0.025 0.0308
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.024 0.1272
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0071 0.0088
Brugia malayi GCC2 and GCC3 family protein 0.0047 0.0803 0.0993
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Echinococcus multilocularis lamin 0.0027 0.0327 0.0327
Onchocerca volvulus Putative cubilin 0.0047 0.0803 0.0993
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0071 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.025 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.024 0.0296
Brugia malayi MH2 domain containing protein 0.0118 0.2402 0.2968
Echinococcus granulosus protein jagged 1 0.0047 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Echinococcus multilocularis neurogenic locus notch protein 4 0.0047 0.0803 0.0803
Onchocerca volvulus Peroxidasin homolog 0.0367 0.8092 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Entamoeba histolytica hypothetical protein 0.0023 0.025 0.0344
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.1588 0.1963
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.024 0.024
Loa Loa (eye worm) PXA domain-containing protein 0.0023 0.025 0.0308
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0046 0.0057
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0023 0.025 0.0308
Loa Loa (eye worm) hypothetical protein 0.0023 0.025 0.0308
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0071 0.0071
Onchocerca volvulus 0.0027 0.0327 0.0404
Entamoeba histolytica hypothetical protein 0.0035 0.0529 1
Onchocerca volvulus Neurogenic locus notch homolog 0.0047 0.0803 0.0993
Schistosoma mansoni slit 0.0047 0.0803 0.0993
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1394 0.1722
Brugia malayi isocitrate dehydrogenase 0.0015 0.0071 0.0088
Echinococcus granulosus peroxidasin 0.0367 0.8092 0.8092
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0071 0.0088
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1394 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.025 0.0308
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0071 0.0071
Schistosoma mansoni notch 0.0047 0.0803 0.0993
Echinococcus multilocularis expressed protein 0.0451 1 1
Schistosoma mansoni regulator of G protein signaling 0.0023 0.025 0.0308
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.025 0.025
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0014 0.0014
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.025 0.0308
Echinococcus multilocularis protein jagged 1 0.0047 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Echinococcus multilocularis beta adrenergic receptor kinase 0.0023 0.025 0.025
Schistosoma mansoni notch 0.0047 0.0803 0.0993
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.024 0.9595
Toxoplasma gondii EGF family domain-containing protein 0.0047 0.0803 0.5536
Entamoeba histolytica hypothetical protein 0.0023 0.025 0.0344
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0071 0.0071
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0247 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.025 0.0308
Echinococcus multilocularis protein jagged 2 0.0047 0.0803 0.0803
Brugia malayi hypothetical protein 0.0035 0.0529 0.0654
Onchocerca volvulus Dual oxidase homolog 0.0367 0.8092 1
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0095 0.1421
Brugia malayi Cytochrome P450 family protein 0.0016 0.0095 0.0118
Onchocerca volvulus 0.0367 0.8092 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0071 0.0071
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.024 0.1111
Brugia malayi EGF-like domain containing protein 0.0047 0.0803 0.0993
Brugia malayi hypothetical protein 0.0149 0.3114 0.3848
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0023 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0023 0.025 0.0308
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.025 0.025
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1394 1
Echinococcus multilocularis musashi 0.0027 0.0327 0.0327
Onchocerca volvulus 0.0027 0.0327 0.0404
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0023 0.025 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0529 0.0529
Loa Loa (eye worm) hypothetical protein 0.0367 0.8092 1
Echinococcus multilocularis slit 2 protein 0.0047 0.0803 0.0803
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.025 0.0308
Loa Loa (eye worm) hypothetical protein 0.0047 0.0803 0.0993
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0047 0.0803 0.0993
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0023 0.025 0.0308
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1394 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0247 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 19.95262315 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.6702 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 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) = 6.3096 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 the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 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.
 
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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