Detailed information for compound 1460137

Basic information

Technical information
  • TDR Targets ID: 1460137
  • Name: (E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phe nyl]-3-(3-fluorophenyl)prop-2-enamide
  • MW: 373.852 | Formula: C20H21ClFN3O
  • H donors: 1 H acceptors: 1 LogP: 3.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1ccc(cc1NC(=O)/C=C/c1cccc(c1)F)Cl
  • InChi: 1S/C20H21ClFN3O/c1-24-9-11-25(12-10-24)19-7-6-16(21)14-18(19)23-20(26)8-5-15-3-2-4-17(22)13-15/h2-8,13-14H,9-12H2,1H3,(H,23,26)/b8-5+
  • InChiKey: IDBAMXHGGSWDOD-VMPITWQZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
  • (E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(3-fluorophenyl)acrylamide
  • MLS001033280
  • SMR000363774
  • T5698454

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative 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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Toxoplasma gondii 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Theileria parva isocitrate dehydrogenase (NADP+), 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
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans C terminus of cytosolic NADP-specific 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
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi exodeoxyribonuclease III family protein 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
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 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus NADP dependent 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0113 0.1121 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0113 0.1121 0.4014
Loa Loa (eye worm) hypothetical protein 0.0113 0.1121 0.4014
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0949 0.0616
Schistosoma mansoni glutamate receptor NMDA 0.0221 0.2539 0.6136
Echinococcus granulosus atrial natriuretic peptide receptor 0.0113 0.1121 0.0794
Entamoeba histolytica hypothetical protein 0.0113 0.1121 1
Schistosoma mansoni metabotropic glutamate receptor 0.0113 0.1121 0.2463
Echinococcus granulosus glutamate receptor 2 0.0335 0.4032 0.3812
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0113 0.1121 0.4014
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0221 0.2539 0.2265
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0335 0.4032 0.3812
Chlamydia trachomatis glutamine binding protein 0.0567 0.7089 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.042 0.1057
Echinococcus multilocularis tyrosine kinase 0.0113 0.1121 0.0794
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0113 0.1121 0.4014
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0113 0.1121 0.4014
Echinococcus multilocularis nmda type glutamate receptor 0.0789 1 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0221 0.2539 0.2265
Schistosoma mansoni glutamate receptor NMDA 0.0335 0.4032 1
Loa Loa (eye worm) glutamate receptor 2 0.0221 0.2539 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0567 0.7089 1
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0221 0.2539 0.2265
Schistosoma mansoni glutamate receptor kainate 0.0221 0.2539 0.6136
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0113 0.1121 0.0794
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.042 0.1057
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0949 0.2017
Loa Loa (eye worm) hypothetical protein 0.0113 0.1121 0.4014
Schistosoma mansoni hypothetical protein 0.0221 0.2539 0.6136
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0789 1 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0567 0.7089 1
Brugia malayi metabotropic glutamate receptor type 2 0.0113 0.1121 0.4014
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0221 0.2539 0.2265
Echinococcus granulosus glutamate receptor subunit protein glur 0.0221 0.2539 0.2265
Brugia malayi hypothetical protein 0.0113 0.1121 0.4014
Schistosoma mansoni tyrosine kinase 0.0113 0.1121 0.2463
Schistosoma mansoni ATP-binding cassette transporter 0.0221 0.2539 0.6136
Schistosoma mansoni glutamate receptor kainate 0.0221 0.2539 0.6136
Onchocerca volvulus 0.0113 0.1121 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.1121 0.4014
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0335 0.4032 0.3812
Schistosoma mansoni tyrosine kinase 0.0113 0.1121 0.2463
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0335 0.4032 0.3812
Schistosoma mansoni glutamate receptor kainate 0.0221 0.2539 0.6136
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0335 0.4032 0.3812
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0113 0.1121 0.4014
Mycobacterium leprae conserved hypothetical protein 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0113 0.1121 0.4014
Brugia malayi Guanylyl cyclase protein 23 0.0113 0.1121 0.4014
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0335 0.4032 0.3812
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0113 0.1121 0.0794
Loa Loa (eye worm) glutamate receptor 0.0113 0.1121 0.4014
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0335 0.4032 0.3812
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0335 0.4032 0.3812
Echinococcus multilocularis receptor type guanylyl cyclase 0.0113 0.1121 0.0794
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0 0.5
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0 0.5
Echinococcus multilocularis glutamate receptor 2 0.0335 0.4032 0.3812
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0113 0.1121 0.0794
Echinococcus multilocularis glutamate receptor 2 0.0113 0.1121 0.0794
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0355 0.048
Trypanosoma cruzi extracellular receptor, putative 0.0113 0.1121 0.5
Echinococcus granulosus metabotropic glutamate receptor 2 0.0113 0.1121 0.0794
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0355 0.0781
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0221 0.2539 0.2265
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0567 0.7089 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0355 0.0781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0355 0.048
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0567 0.7089 1
Echinococcus granulosus tyrosine kinase 0.0113 0.1121 0.0794
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.042 0.1057
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0949 0.3287
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0949 0.0616
Brugia malayi Receptor family ligand binding region containing protein 0.0113 0.1121 0.4014
Loa Loa (eye worm) hypothetical protein 0.0113 0.1121 0.4014
Loa Loa (eye worm) hypothetical protein 0.0113 0.1121 0.4014
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0113 0.1121 0.4014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0355 0.048
Echinococcus granulosus metabotropic glutamate receptor 5 0.0113 0.1121 0.0794
Echinococcus granulosus glutamate receptor 2 0.0113 0.1121 0.0794
Schistosoma mansoni protein kinase 0.0113 0.1121 0.2463
Loa Loa (eye worm) RGC/RGC protein kinase 0.0113 0.1121 0.4014
Loa Loa (eye worm) hypothetical protein 0.0113 0.1121 0.4014
Onchocerca volvulus 0.0113 0.1121 1
Brugia malayi Glutamate receptor 1 precursor 0.0221 0.2539 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0567 0.7089 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0335 0.4032 0.3812
Trypanosoma brucei hypothetical protein, conserved 0.0028 0 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0221 0.2539 0.6136
Loa Loa (eye worm) hypothetical protein 0.01 0.0949 0.3287
Brugia malayi Glutamate receptor 2 precursor 0.0221 0.2539 1
Echinococcus multilocularis NMDA receptor 0.0221 0.2539 0.2265
Brugia malayi Receptor family ligand binding region containing protein 0.0113 0.1121 0.4014
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0221 0.2539 0.2265
Echinococcus granulosus receptor type guanylyl cyclase 0.0113 0.1121 0.0794
Echinococcus multilocularis nmda type glutamate receptor 0.0113 0.1121 0.0794
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0221 0.2539 0.2265
Loa Loa (eye worm) hypothetical protein 0.006 0.042 0.1057
Loa Loa (eye worm) hypothetical protein 0.0113 0.1121 0.4014
Schistosoma mansoni glutamate receptor AMPA 0.0221 0.2539 0.6136
Loa Loa (eye worm) RGC/RGC protein kinase 0.0113 0.1121 0.4014
Schistosoma mansoni metabotropic glutamate receptor 0.0113 0.1121 0.2463
Loa Loa (eye worm) glutamate receptor 1 0.0221 0.2539 1
Echinococcus granulosus nmda type glutamate receptor 0.0113 0.1121 0.0794
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0 0.5
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0113 0.1121 0.4014
Echinococcus multilocularis glutamate receptor 2 0.0221 0.2539 0.2265
Leishmania major extracellular receptor, putative 0.0113 0.1121 1
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0221 0.2539 0.2265

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 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) 12.5893 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 14.7157 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) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] 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
Potency (functional) 707.9458 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
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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