Detailed information for compound 1345014

Basic information

Technical information
  • TDR Targets ID: 1345014
  • Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3a, 4,5,6,7,7a-hexahydroisoindole-1,3-dione
  • MW: 355.431 | Formula: C20H25N3O3
  • H donors: 0 H acceptors: 3 LogP: 1.91 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccccc1)CN1C(=O)C2C(C1=O)CCCC2
  • InChi: 1S/C20H25N3O3/c24-18(14-23-19(25)16-8-4-5-9-17(16)20(23)26)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2
  • InChiKey: VOPIISMAKDLPFW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
  • 2-[2-keto-2-(4-phenylpiperazin-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone
  • 2-[2-Oxo-2-(4-phenyl-piperazin-1-yl)-ethyl]-hexahydro-isoindole-1,3-dione
  • BAS 05289103
  • MLS000765730
  • SMR000278836
  • AJ-292/41685508
  • STK016064

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative 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 braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Echinococcus multilocularis 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
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Loa Loa (eye worm) 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
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
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, 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
Brugia malayi 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
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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 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
Echinococcus multilocularis NADP dependent 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
Echinococcus multilocularis NADP dependent 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 major isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative 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
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), 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 mansoni NADP-specific isocitrate dehydrogenase 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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0081 0.0032
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0157 0.0685
Schistosoma mansoni hypothetical protein 0.0174 0.231 0.231
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0157 0.1394
Schistosoma mansoni alpha-glucosidase 0.0144 0.1879 0.1879
Echinococcus multilocularis geminin 0.0174 0.231 0.2272
Schistosoma mansoni microtubule-associated protein tau 0.071 1 1
Trypanosoma brucei glucosidase, putative 0.0037 0.0341 1
Echinococcus granulosus kinesin family 1 0.0473 0.66 0.6583
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0157 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0049 0.0049
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0341 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0017 0.0049 0.0456
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0704 1
Echinococcus multilocularis musashi 0.0028 0.0206 0.0157
Echinococcus multilocularis kinesin family 1 0.0473 0.66 0.6583
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.008 0.0949 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0704 0.0658
Schistosoma mansoni intermediate filament proteins 0.0028 0.0206 0.0206
Loa Loa (eye worm) kinesin-like protein KLP2 0.0062 0.069 0.3096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.06 0.06
Schistosoma mansoni hypothetical protein 0.0412 0.5718 0.5718
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0704 0.0658
Onchocerca volvulus 0.0028 0.0206 0.1672
Loa Loa (eye worm) hypothetical protein 0.0024 0.0157 0.0685
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0341 0.3553
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0081 0.1072
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0704 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.2214 0.2175
Schistosoma mansoni voltage-gated potassium channel 0.0093 0.1142 0.1142
Echinococcus granulosus lamin 0.0028 0.0206 0.0157
Loa Loa (eye worm) hypothetical protein 0.0017 0.0049 0.0195
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0085 0.103 0.4637
Echinococcus granulosus lamin dm0 0.0028 0.0206 0.0157
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.06 0.06
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0081 0.0032
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0157 0.0685
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0081 0.0032
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.06 0.0553
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0021 0.0066
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0017 0.0049 0.0049
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.008 0.0949 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0161 0.0704
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0157 0.1583
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0341 0.3553
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0341 0.4801
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0341 0.0294
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0341 0.3553
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0081 0.2233
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0081 0.0339
Echinococcus granulosus geminin 0.0174 0.231 0.2272
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0017 0.0049 0.0049
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0081 0.0081
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0341 0.4902
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0017 0.0049 0.0195
Echinococcus multilocularis microtubule associated protein 2 0.071 1 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0062 0.069 0.9768
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0341 0.3553
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0085 0.103 0.0986
Plasmodium vivax kinesin-5 0.0062 0.069 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0085 0.103 0.4637
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0081 0.0032
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0341 0.3553
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.06 0.2689
Schistosoma mansoni alpha glucosidase 0.0037 0.0341 0.0341
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0085 0.103 0.0986
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.06 0.0553
Schistosoma mansoni voltage-gated potassium channel 0.0093 0.1142 0.1142
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0017 0.0049 0.0049
Plasmodium falciparum kinesin-5 0.0062 0.069 1
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0161 0.0161
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0206 0.0903
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0157 0.0685
Onchocerca volvulus 0.0024 0.0157 0.1268
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0704 1
Brugia malayi intermediate filament protein 0.0028 0.0206 0.0903
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0157 0.1394
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0157 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0704 0.0704
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0206 0.0903
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0341 0.3553
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0157 0.2168
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0017 0.0049 0.0456
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0081 0.2233
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0157 0.2168
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.06 0.0553
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0081 0.2233
Schistosoma mansoni alpha-glucosidase 0.0144 0.1879 0.1879
Loa Loa (eye worm) hypothetical protein 0.0024 0.0157 0.0685
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0704 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0069 0.0284
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0341 0.1518
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0341 0.3553
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0341 0.4177
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0081 0.0194
Brugia malayi isocitrate dehydrogenase 0.0019 0.0081 0.0339
Loa Loa (eye worm) hypothetical protein 0.0028 0.0206 0.0903
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0157 0.1394
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0081 0.0339
Loa Loa (eye worm) hypothetical protein 0.0027 0.0198 0.087
Brugia malayi Cyclic-nucleotide gated cation channel 0.0017 0.0049 0.0195
Entamoeba histolytica kinesin, putative 0.0062 0.069 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0157 0.1394
Schistosoma mansoni lamin 0.0028 0.0206 0.0206
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0021 0.0066
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0025 0.0161 0.0113
Loa Loa (eye worm) hypothetical protein 0.0018 0.0069 0.0284
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0341 0.1518
Giardia lamblia Kinesin-5 0.0062 0.069 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0081 0.0032
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0704 0.0704
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0017 0.0049 0.0195
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0206 0.0903
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0081 0.0194
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0157 0.1394
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0341 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0341 0.3553
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.06 0.0553
Onchocerca volvulus 0.0097 0.1199 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0025 0.0161 0.0704
Mycobacterium ulcerans hypothetical protein 0.0024 0.0157 0.1394
Schistosoma mansoni hypothetical protein 0.0174 0.231 0.231
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.06 0.06
Loa Loa (eye worm) hypothetical protein 0.0018 0.0069 0.0284
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0081 0.0406
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0168 0.2214 1
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0161 0.0161
Brugia malayi Kinesin motor domain containing protein 0.0062 0.069 0.3096
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0157 0.2168
Echinococcus multilocularis lamin dm0 0.0028 0.0206 0.0157
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0017 0.0049 0.0049
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0157 0.1583
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0157 0.1394
Schistosoma mansoni kinesin eg-5 0.0062 0.069 0.069
Loa Loa (eye worm) hypothetical protein 0.0018 0.0069 0.0284
Echinococcus multilocularis lamin 0.0028 0.0206 0.0157
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.06 0.2689
Loa Loa (eye worm) hypothetical protein 0.0018 0.0069 0.0284
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0704 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0206 0.0157
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0157 0.2213
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0081 0.2233
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.2214 0.2175
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0157 0.1394
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0157 0.2213
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0017 0.0049 0.0049
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0341 0.3553
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0069 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0341 0.4902
Loa Loa (eye worm) hypothetical protein 0.0024 0.0157 0.0685
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0069 0.022
Schistosoma mansoni lamin 0.0028 0.0206 0.0206
Onchocerca volvulus 0.0028 0.0206 0.1672
Echinococcus granulosus lysosomal alpha glucosidase 0.0168 0.2214 0.2175
Echinococcus multilocularis voltage gated potassium channel 0.0025 0.0161 0.0113
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0341 0.0294
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0157 0.2213
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0704 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0025 0.0161 0.0113
Brugia malayi Glycosyl hydrolases family 31 protein 0.0168 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0868 0.3906
Echinococcus granulosus voltage gated potassium channel 0.0025 0.0161 0.0113
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0081 0.0032

Activities

Activity type Activity value Assay description Source Reference
MED (functional) = 300 mg kg-1 Anticonvulsant activity in ip dosed CF1 albino mouse assessed as protection against maximal electroshock after 0.5 hrs ChEMBL. 21840629
Potency (functional) 2.5929 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) 10 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) 18.526 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) = 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 for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

If you have references for this compound, please enter them in a user comment (below) or Contact us.