Detailed information for compound 209670

Basic information

Technical information
  • TDR Targets ID: 209670
  • Name: (2S,3S,4S)-3-(carboxymethyl)-4-[1-(4-phenethy loxyphenyl)ethenyl]pyrrolidine-2-carboxylic a cid
  • MW: 395.448 | Formula: C23H25NO5
  • H donors: 3 H acceptors: 4 LogP: 1.38 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)C(=C)c1ccc(cc1)OCCc1ccccc1
  • InChi: 1S/C23H25NO5/c1-15(20-14-24-22(23(27)28)19(20)13-21(25)26)17-7-9-18(10-8-17)29-12-11-16-5-3-2-4-6-16/h2-10,19-20,22,24H,1,11-14H2,(H,25,26)(H,27,28)/t19-,20+,22-/m0/s1
  • InChiKey: SDEPLZSMABUBNR-VWPQPMDRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,3S,4S)-3-(carboxymethyl)-4-[1-(4-phenethyloxyphenyl)vinyl]pyrrolidine-2-carboxylic acid
  • (2S,3S,4S)-3-(carboxymethyl)-4-[1-(4-phenethyloxyphenyl)vinyl]-2-pyrrolidinecarboxylic acid
  • (2S,3S,4S)-3-(carboxymethyl)-4-[1-(4-phenethyloxyphenyl)vinyl]proline
  • (2S,3S,4S)-3-(carboxymethyl)-4-[1-[4-(2-phenylethoxy)phenyl]ethenyl]pyrrolidine-2-carboxylic acid
  • (2S,3S,4S)-3-(carboxymethyl)-4-[1-[4-(2-phenylethoxy)phenyl]vinyl]pyrrolidine-2-carboxylic acid
  • (2S,3S,4S)-3-(carboxymethyl)-4-[1-[4-(2-phenylethoxy)phenyl]vinyl]-2-pyrrolidinecarboxylic acid
  • (2S,3S,4S)-3-(carboxymethyl)-4-[1-[4-(2-phenylethoxy)phenyl]vinyl]proline

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Starlite/ChEMBL References
Homo sapiens glutamate receptor, ionotropic, kainate 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Glutamate receptor, ionotropic kainate 1 precursor, putative Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma japonicum expressed protein Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma mansoni glutamate receptor kainate Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma mansoni glutamate receptor kainate Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma japonicum expressed protein Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus granulosus glutamate receptor ionotropic kainate 3 Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis glutamate receptor ionotropic kainate Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus granulosus glutamate receptor ionotropic kainate Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis NMDA receptor Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma japonicum Glutamate receptor delta-2 subunit precursor, putative Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma japonicum Glutamate receptor, ionotropic kainate 3 precursor, putative Get druggable targets OG5_127034 All targets in OG5_127034
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster Glutamate receptor IA Glutamate receptor ionotropic kainate 2   908 aa 907 aa 35.3 %
Onchocerca volvulus Glutamate receptor ionotropic kainate 2   908 aa 849 aa 32.0 %
Echinococcus multilocularis glutamate receptor 2 Glutamate receptor ionotropic kainate 2   908 aa 846 aa 30.0 %
Echinococcus granulosus glutamate receptor 2 Glutamate receptor ionotropic kainate 2   908 aa 846 aa 29.9 %
Onchocerca volvulus Putative 39S ribosomal protein L45, mitochondrial Glutamate receptor ionotropic kainate 2   908 aa 836 aa 32.9 %
Drosophila melanogaster Glutamate receptor IIB Glutamate receptor ionotropic kainate 2   908 aa 868 aa 29.6 %
Brugia malayi Glutamate receptor 2 precursor glutamate receptor, ionotropic, kainate 2 892 aa 839 aa 31.8 %
Drosophila melanogaster NMDA receptor 2 Glutamate receptor ionotropic kainate 2   908 aa 884 aa 22.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0097 0.0327 0.0347
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0034 0.0034
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0021 0.0019
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0072 0.0232 0.0246
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0082 0.027 0.0287
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.0429 1
Loa Loa (eye worm) glutamate receptor 2 0.0061 0.0188 0.0188
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0034 0.0032
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0021 0.0021
Schistosoma mansoni sodium/chloride dependent transporter 0.0082 0.027 0.0287
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0042 0.045
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0082 0.027 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0032 0.8471
Echinococcus multilocularis serotonin transporter 0.0484 0.1807 0.1916
Leishmania major trypanothione reductase 0.0049 0.0143 0.0143
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0034 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0034 0.0036
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0022 0.0042 0.0044
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0082 0.027 0.0287
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0082 0.027 0.0287
Schistosoma mansoni survival motor neuron protein 0.0051 0.015 0.0159
Loa Loa (eye worm) hypothetical protein 0.0082 0.027 0.027
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0042 0.0042
Toxoplasma gondii hypothetical protein 0.0082 0.027 1
Echinococcus multilocularis glutamate receptor 2 0.0072 0.0232 0.0246
Plasmodium falciparum glutathione reductase 0.0049 0.0143 0.4892
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0021 0.026
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0147 0.0517 0.0549
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0082 0.027 0.0287
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0082 0.027 0.0287
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0082 0.027 0.027
Echinococcus multilocularis NMDA receptor 0.0097 0.0327 0.0347
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0074 0.2357
Echinococcus multilocularis geminin 0.0353 0.1307 0.1386
Echinococcus multilocularis sodium and chloride dependent glycine 0.0082 0.027 0.0287
Loa Loa (eye worm) hypothetical protein 0.0031 0.0074 0.0074
Plasmodium falciparum transporter, putative 0.0082 0.027 1
Schistosoma mansoni hypothetical protein 0.0051 0.015 0.0159
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0034 0.0034
Echinococcus granulosus glutamate NMDA receptor subunit 0.0061 0.0188 0.0199
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0032 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.027 0.027
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0022 0.0042 0.0044
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0034 0.0034
Trypanosoma cruzi C-8 sterol isomerase, putative 0.2626 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0021 0.0019
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0034 0.0032
Loa Loa (eye worm) hypothetical protein 0.0082 0.027 0.027
Onchocerca volvulus 0.0031 0.0074 0.0078
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0002 0.0002
Schistosoma mansoni sodium/chloride dependent transporter 0.0082 0.027 0.0287
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0021 0.0019
Echinococcus granulosus sodium and chloride dependent glycine 0.0082 0.027 0.0287
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0032 0.0034
Toxoplasma gondii hypothetical protein 0.0082 0.027 1
Leishmania major DNA polymerase eta, putative 0.002 0.0034 0.0034
Onchocerca volvulus 0.0484 0.1807 0.1916
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0147 0.0517 0.0549
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0484 0.1807 0.1916
Schistosoma mansoni glutamate receptor kainate 0.0135 0.0473 0.0502
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0022 0.0042 0.0044
Schistosoma mansoni DNA polymerase eta 0.002 0.0034 0.0036
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0032 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0034 0.0032
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0034 0.0034
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0034 0.0357
Loa Loa (eye worm) hypothetical protein 0.2626 1 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0021 0.0022
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0021 0.0286
Onchocerca volvulus 0.0082 0.027 0.0287
Echinococcus granulosus sodium and chloride dependent glycine 0.0082 0.027 0.0287
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0034 0.0032
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0484 0.1807 0.1807
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0484 0.1807 0.1807
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0143 0.0151
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0004 0.0004
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.0382 0.8837
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0042 0.0044
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0143 0.2985
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.0778 0.0778
Brugia malayi Thioredoxin reductase 0.0049 0.0143 0.0143
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0021 0.0021
Leishmania major DNA polymerase kappa, putative 0.002 0.0034 0.0034
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0147 0.0517 0.0549
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0034 0.0032
Schistosoma mansoni glutamate receptor AMPA 0.0061 0.0188 0.0199
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.0382 0.8837
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0082 0.027 0.027
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0097 0.0327 0.0347
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0032 0.044
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0074 0.0078
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0061 0.0188 0.0199
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.015 0.015
Schistosoma mansoni ap endonuclease 0.002 0.0032 0.0034
Plasmodium vivax SET domain protein, putative 0.0031 0.0074 0.2336
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0004 0.0004
Brugia malayi Pre-SET motif family protein 0.0031 0.0074 0.0074
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0082 0.027 0.0287
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0021 0.0021
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0082 0.027 0.027
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.0429 1
Brugia malayi follicle stimulating hormone receptor 0.0253 0.0925 0.0925
Loa Loa (eye worm) hypothetical protein 0.0082 0.027 0.027
Onchocerca volvulus 0.0051 0.015 0.0159
Schistosoma mansoni glutamate receptor kainate 0.0135 0.0473 0.0502
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0034 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0074 0.0078
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0082 0.027 0.0287
Onchocerca volvulus 0.0245 0.0891 0.0946
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0072 0.0232 0.0246
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0021 0.0021
Echinococcus granulosus glutamate receptor subunit protein glur 0.0022 0.0042 0.0044
Echinococcus multilocularis vesicular acetylcholine transporter 0.2476 0.9427 1
Echinococcus granulosus geminin 0.0353 0.1307 0.1386
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0034
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0082 0.027 1
Echinococcus multilocularis dna polymerase eta 0.002 0.0034 0.0036
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0097 0.0327 0.0347
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0536 0.2005 0.2127
Brugia malayi Pre-SET motif family protein 0.0215 0.0778 0.0778
Brugia malayi hypothetical protein 0.0082 0.027 0.027
Brugia malayi Glutamate receptor 1 precursor 0.0061 0.0188 0.0188
Loa Loa (eye worm) RecQ helicase 0.0022 0.0042 0.0042
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0032 0.0034
Echinococcus granulosus serotonin transporter 0.0484 0.1807 0.1916
Loa Loa (eye worm) norepinephrine transporter 0.0484 0.1807 0.1807
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0034 1
Echinococcus granulosus glutamate receptor 2 0.005 0.0146 0.0155
Echinococcus multilocularis dna polymerase kappa 0.002 0.0034 0.0036
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0034 0.0032
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0031 0.043
Schistosoma mansoni sodium-dependent amino acid transporter 0.0082 0.027 0.0287
Echinococcus granulosus nmda type glutamate receptor 0.0022 0.0042 0.0044
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0034 0.0032
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0082 0.027 0.0287
Schistosoma mansoni glutamate receptor NMDA 0.0072 0.0232 0.0246
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0034 0.0032
Echinococcus granulosus bloom syndrome protein 0.0022 0.0042 0.0044
Plasmodium vivax hypothetical protein, conserved 0.0082 0.027 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0034 0.0036
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0143 0.0151
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0082 0.027 0.0287
Schistosoma mansoni ATP-binding cassette transporter 0.0061 0.0188 0.0199
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0021 0.0021
Echinococcus granulosus glutamate receptor 2 0.0072 0.0232 0.0246
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0021 0.026
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0034 0.0034
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0082 0.027 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0074 0.0078
Brugia malayi glutathione reductase 0.0049 0.0143 0.0143
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0002 0.0002
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0034 0.0317
Loa Loa (eye worm) hypothetical protein 0.0082 0.027 0.027
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0024 0.0025
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0021 0.0021
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0082 0.027 0.0287
Plasmodium falciparum thioredoxin reductase 0.0049 0.0143 0.4892
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.0907 0.0963
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0034 0.0034
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0074 0.0078
Brugia malayi Glutamate receptor 2 precursor 0.0061 0.0188 0.0188
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.2476 0.9427 1
Trypanosoma brucei unspecified product 0.0014 0.001 0.0008
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0032 0.0061
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0021 0.0021
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.0429 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0074 0.0078
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.0382 0.8837
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0034 0.0032
Schistosoma mansoni hypothetical protein 0.0353 0.1307 0.1386
Trypanosoma brucei trypanothione reductase 0.0049 0.0143 0.0141
Echinococcus granulosus vesicular acetylcholine transporter 0.2476 0.9427 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0034 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0484 0.1807 0.1807
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0034 0.0034
Plasmodium vivax amine transporter, putative 0.0082 0.027 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0034 0.0032
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0082 0.027 0.027
Schistosoma mansoni ap endonuclease 0.002 0.0032 0.0034
Loa Loa (eye worm) glutathione reductase 0.0049 0.0143 0.0143
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0021 0.0022
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0143 0.0143
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0082 0.027 0.0287
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0074 0.0078
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0082 0.027 0.0287
Loa Loa (eye worm) serotonin transporter b 0.0484 0.1807 0.1807
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0082 0.027 0.0287
Loa Loa (eye worm) hypothetical protein 0.0249 0.0907 0.0907
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0082 0.027 1
Toxoplasma gondii exonuclease III APE 0.002 0.0032 0.0713
Schistosoma mansoni glutamate receptor kainate 0.0061 0.0188 0.0199
Toxoplasma gondii thioredoxin reductase 0.0049 0.0143 0.5038
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0021 0.0021
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0021 0.0021
Onchocerca volvulus 0.0082 0.027 0.0287
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0042 0.045
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0032 0.0335
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0147 0.0517 0.0549
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.0382 0.8837
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.007 0.0074
Entamoeba histolytica recQ family helicase, putative 0.0012 0.0002 0.0563
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.0907 0.0963
Echinococcus multilocularis glutamate receptor 2 0.005 0.0146 0.0155
Plasmodium falciparum amino acid transporter, putative 0.0082 0.027 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0147 0.0517 0.0549
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0032 0.0032
Echinococcus granulosus tm gpcr rhodopsin 0.0536 0.2005 0.2127
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0021 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.001 0.0008
Schistosoma mansoni glutamate receptor NMDA 0.0061 0.0188 0.0199
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0032 0.0335
Trypanosoma brucei C-8 sterol isomerase, putative 0.2626 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.027 0.027
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0143 0.5025
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0097 0.0327 0.0347
Schistosoma mansoni sodium/chloride dependent transporter 0.0484 0.1807 0.1916
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0034 0.0357
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0484 0.1807 0.1807
Loa Loa (eye worm) hypothetical protein 0.0484 0.1807 0.1807
Trypanosoma brucei unspecified product 0.002 0.0034 0.0032
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0021 0.0019
Echinococcus multilocularis sodium and chloride dependent glycine 0.0082 0.027 0.0287
Trichomonas vaginalis set domain proteins, putative 0.0245 0.0891 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0082 0.027 0.027
Brugia malayi vesicular acetylcholine transporter unc-17 0.2476 0.9427 0.9427
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0082 0.027 0.027
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0147 0.0517 0.0549
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0034 0.0032
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.0382 0.8837
Loa Loa (eye worm) hypothetical protein 0.1342 0.509 0.509
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.0429 1
Brugia malayi hypothetical protein 0.0249 0.0907 0.0907
Trypanosoma brucei unspecified product 0.0014 0.001 0.0008
Mycobacterium tuberculosis Probable reductase 0.0111 0.0382 0.8837
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0074 0.0078
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0034 0.0036
Schistosoma mansoni vesicular acetylcholine transporter 0.2476 0.9427 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0353 0.1307 0.1386
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0021 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.001 0.0008
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0034 0.0032
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.2476 0.9427 0.9427
Giardia lamblia DINP protein human, muc B family 0.002 0.0034 1
Echinococcus granulosus dna polymerase eta 0.002 0.0034 0.0036
Schistosoma mansoni glutamate receptor AMPA 0.0061 0.0188 0.0199
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0021 0.0286
Echinococcus multilocularis nmda type glutamate receptor 0.0022 0.0042 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0034 0.0032
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0034 0.0036
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.001 0.0008
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0021 0.0021
Leishmania major C-8 sterol isomerase-like protein 0.2626 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0032 0.0688
Onchocerca volvulus 0.0082 0.027 0.0287
Echinococcus multilocularis glutamate receptor 2 0.0061 0.0188 0.0199
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0021 0.0212
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0021 0.0212
Loa Loa (eye worm) hypothetical protein 0.0082 0.027 0.027
Schistosoma mansoni hypothetical protein 0.0022 0.0042 0.0044
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0032 0.0032
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0021 0.0021
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0082 0.027 0.0287
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0082 0.027 0.0287
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0034 0.0032
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0032 0.0032
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0032 0.0268
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0021 0.0022
Treponema pallidum sodium- and chloride- dependent transporter 0.0484 0.1807 1
Loa Loa (eye worm) glutamate receptor 1 0.0061 0.0188 0.0188
Plasmodium vivax glutathione reductase, putative 0.0049 0.0143 0.5025
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0034 0.0317
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0143 0.0143
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0032 0.003
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0032 0.9412
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0032 0.8471
Loa Loa (eye worm) hypothetical protein 0.0018 0.0025 0.0025
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0253 0.0925 0.0925
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0032 0.0032

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.2 nM Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2 ChEMBL. 8809152
Ki (binding) = 6.2 nM Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2 ChEMBL. 8809152
Ki (binding) = 126.2 nM Inhibition of [3H]-kainate binding at ionotropic glutamate receptor kainate 2 ChEMBL. 8809152
Ki (binding) = 126.2 nM Inhibition of [3H]-kainate binding at ionotropic glutamate receptor kainate 2 ChEMBL. 8809152
Response (functional) = 16 % Electrophysiological activity at 1 microM domoate from HEK293 cells transfected with ionotropic glutamate receptor kainate 2 ChEMBL. 8809152
Response (functional) = 16 % Electrophysiological activity at 1 microM domoate from HEK293 cells transfected with ionotropic glutamate receptor kainate 2 ChEMBL. 8809152
Response (functional) = 52 % Electrophysiological activity at 10 microM domoate from HEK293 cells transfected with Ionotropic glutamate receptor kainate 2 ChEMBL. 8809152
Response (functional) = 52 % Electrophysiological activity at 10 microM domoate from HEK293 cells transfected with Ionotropic glutamate receptor kainate 2 ChEMBL. 8809152
Response (functional) = 66 % Electrophysiological activity at 30 microM domoate from HEK293 cells transfected with ionotropic glutamate receptor kainate 2 ChEMBL. 8809152
Response (functional) = 66 % Electrophysiological activity at 30 microM domoate from HEK293 cells transfected with ionotropic glutamate receptor kainate 2 ChEMBL. 8809152

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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