Detailed information for compound 1537379

Basic information

Technical information
  • TDR Targets ID: 1537379
  • Name: methyl (2S)-2-[[4-(2,3-dihydro-1,4-benzodioxi ne-2-carbonyl)piperazine-1-carbonyl]amino]-3- methylbutanoate
  • MW: 405.445 | Formula: C20H27N3O6
  • H donors: 1 H acceptors: 3 LogP: 1.59 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@H](C(C)C)NC(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2
  • InChi: 1S/C20H27N3O6/c1-13(2)17(19(25)27-3)21-20(26)23-10-8-22(9-11-23)18(24)16-12-28-14-6-4-5-7-15(14)29-16/h4-7,13,16-17H,8-12H2,1-3H3,(H,21,26)/t16?,17-/m0/s1
  • InChiKey: BBKDTZRXQZTHNR-DJNXLDHESA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl (2S)-2-[[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-butanoate
  • (2S)-2-[[[4-(2,3-dihydro-1,4-benzodioxin-2-yl-oxomethyl)-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester
  • (2S)-2-[[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-butyric acid methyl ester
  • methyl (2S)-2-[[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoate

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0127 0.166 0.1608
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0376 0.1842
Loa Loa (eye worm) hypothetical protein 0.0098 0.1237 0.2642
Entamoeba histolytica hypothetical protein 0.0098 0.1237 0.8627
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0623 0.133
Loa Loa (eye worm) integrin beta-2 0.0309 0.4279 0.9489
Onchocerca volvulus 0.0127 0.166 1
Brugia malayi Cytochrome P450 family protein 0.002 0.0117 0.0128
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0097 0.0078
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0888 0.0831
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0265 0.0727
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0265 0.1253
Onchocerca volvulus 0.0127 0.166 1
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0117 0.0122
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0561 0.1181
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0376 0.0742
Loa Loa (eye worm) phosphofructokinase 0.0111 0.1434 0.3085
Schistosoma mansoni integrin beta subunit 0.0182 0.2451 0.2403
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Loa Loa (eye worm) hypothetical protein 0.0098 0.1237 0.2642
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0214 0.0152
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0109 0.1402 0.1348
Echinococcus granulosus glycine receptor subunit beta 0.0127 0.166 0.1608
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0127 0.166 0.1608
Loa Loa (eye worm) ACC-1 protein 0.0127 0.166 0.3596
Onchocerca volvulus 0.0055 0.0623 0.2618
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0214 0.0152
Loa Loa (eye worm) 6-phosphofructokinase 0.0111 0.1434 0.3085
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0098 0.1237 0.2785
Leishmania major cytochrome p450-like protein 0.002 0.0117 0.0571
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0098 0.1237 0.1182
Loa Loa (eye worm) hypothetical protein 0.0098 0.1237 0.2642
Schistosoma mansoni neurotransmitter gated ion channel 0.0098 0.1237 0.1182
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0029 0.0256 0.0458
Schistosoma mansoni nAChR subunit 0.0127 0.166 0.1608
Brugia malayi excitatory GABA receptor EXP-1A 0.0127 0.166 0.379
Schistosoma mansoni ap endonuclease 0.0018 0.0097 0.0035
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0265 0.0557
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0265 0.0719
Mycobacterium ulcerans 6-phosphofructokinase 0.0111 0.1434 1
Toxoplasma gondii dihydroorotase 0.0228 0.3106 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0097 0.0476
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0154 0.2043 0.653
Entamoeba histolytica phosphofructokinase, putative 0.0111 0.1434 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0127 0.166 0.379
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0127 0.166 0.3596
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.166 0.379
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0425 0.0365
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Entamoeba histolytica phosphofructokinase, putative 0.0111 0.1434 1
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0146 0.0084
Schistosoma mansoni intermediate filament proteins 0.0055 0.0623 0.0564
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0127 0.166 0.1608
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0029 0.0256 0.0435
Brugia malayi hypothetical protein 0.0029 0.0256 0.0458
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0376 0.1842
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0029 0.0256 0.0458
Brugia malayi thymidylate synthase 0.0109 0.1402 0.3177
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Brugia malayi Inositol-1 0.0038 0.0376 0.0744
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0098 0.1237 0.2785
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0146 0.0199
Loa Loa (eye worm) hypothetical protein 0.0035 0.033 0.0602
Brugia malayi hypothetical protein 0.0125 0.1626 0.3707
Echinococcus granulosus nAChR subunit 0.0127 0.166 0.1608
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Loa Loa (eye worm) hypothetical protein 0.0098 0.1237 0.2642
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0623 0.1262
Entamoeba histolytica hypothetical protein 0.0073 0.0888 0.6193
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0376 0.0316
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0376 0.1091
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Loa Loa (eye worm) hypothetical protein 0.0026 0.02 0.0308
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0127 0.166 0.1608
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0265 0.0719
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0029 0.0256 0.0435
Entamoeba histolytica phosphofructokinase, putative 0.0111 0.1434 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0376 0.0315
Onchocerca volvulus 0.0055 0.0623 0.2618
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0098 0.1237 0.1182
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0265 0.1847
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0146 0.1021
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Echinococcus multilocularis lamin 0.0055 0.0623 0.0564
Brugia malayi Cation transporter family protein 0.0127 0.166 0.379
Echinococcus multilocularis nAChR subunit 0.0098 0.1237 0.1182
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0376 0.1842
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0097 0.0678
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.166 0.379
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.034 0.237
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0561 0.1181
Loa Loa (eye worm) hypothetical protein 0.0098 0.1237 0.2642
Echinococcus granulosus geminin 0.0172 0.2308 0.226
Schistosoma mansoni nAChR subunit 0.0127 0.166 0.1608
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0127 0.166 0.3596
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0376 0.2624
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0256 0.0459
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0029 0.0256 0.0194
Echinococcus multilocularis nAChR subunit 0.0127 0.166 0.1608
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0029 0.0256 0.0194
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0127 0.166 0.1608
Brugia malayi 6-phosphofructokinase 0.0111 0.1434 0.3252
Onchocerca volvulus 0.0109 0.1402 0.8162
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0265 0.0727
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Schistosoma mansoni nAChR subunit 0.0127 0.166 0.1608
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0111 0.1434 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0127 0.166 0.1608
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0109 0.1402 0.9766
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0265 0.1847
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0127 0.166 0.1608
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0117 0.0571
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0127 0.166 0.1608
Echinococcus granulosus lamin 0.0055 0.0623 0.0564
Echinococcus multilocularis dihydrofolate reductase 0.0045 0.0472 0.0412
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0265 0.1847
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0109 0.1402 0.9719
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0425 0.0365
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0265 0.1847
Echinococcus granulosus thymidylate synthase 0.0109 0.1402 0.1348
Onchocerca volvulus Putative nachr subunit 0.0127 0.166 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.1237 0.2642
Loa Loa (eye worm) hypothetical protein 0.0051 0.0561 0.1121
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0111 0.1434 0.7019
Loa Loa (eye worm) 6-phosphofructokinase 0.0111 0.1434 0.3085
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0097 0.0172
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0108 0.0037
Plasmodium vivax dihydroorotase, putative 0.0228 0.3106 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.3315 0.7318
Toxoplasma gondii exonuclease III APE 0.0018 0.0097 0.018
Echinococcus granulosus dihydrofolate reductase 0.0045 0.0472 0.0412
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0029 0.0256 0.0194
Brugia malayi Integrin beta pat-3 precursor 0.0309 0.4279 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0045 0.0472 0.2807
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0127 0.166 0.1608
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0127 0.166 0.1608
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0117 0.0571
Onchocerca volvulus 0.0098 0.1237 0.6984
Schistosoma mansoni acetylcholine receptor-related 0.0029 0.0256 0.0194
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.033 0.0634
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0127 0.166 0.1608
Schistosoma mansoni nAChR subunit 0.0029 0.0256 0.0194
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0154 0.2043 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0127 0.166 0.379
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0127 0.166 0.3596
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0579 0.4039
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0127 0.166 0.1608
Brugia malayi Cation transporter family protein 0.0127 0.166 0.379
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0154 0.2043 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0561 0.1121
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0127 0.166 0.379
Loa Loa (eye worm) hypothetical protein 0.0098 0.1237 0.2642
Brugia malayi phosphofructokinase 0.0111 0.1434 0.3252
Schistosoma mansoni hypothetical protein 0.0073 0.0888 0.0831
Echinococcus granulosus nAChR subunit 0.0098 0.1237 0.1182
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0097 0.0035
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0265 0.0727
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0097 0.0035
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0127 0.166 0.1608
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0097 0.0678
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Loa Loa (eye worm) acetylcholine receptor protein 0.0029 0.0256 0.0435
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.166 0.379
Schistosoma mansoni dihydrofolate reductase 0.0045 0.0472 0.0412
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0029 0.0256 0.0458
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.166 0.379
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0045 0.0472 0.1374
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0097 0.0082
Loa Loa (eye worm) hypothetical protein 0.0026 0.02 0.0308
Mycobacterium tuberculosis Hypothetical protein 0.0052 0.0579 0.3605
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0376 0.0315
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0265 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0029 0.0256 0.0458
Loa Loa (eye worm) ACC-1 protein 0.0127 0.166 0.3596
Echinococcus granulosus glycine receptor subunit alpha 1 0.0127 0.166 0.1608
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Brugia malayi hypothetical protein 0.0029 0.0256 0.0458
Schistosoma mansoni nAChR subunit 0.0029 0.0256 0.0194
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0029 0.0256 0.0458
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.008 0.0018
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0052 0.0579 0.2835
Loa Loa (eye worm) hypothetical protein 0.0325 0.4506 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.166 0.379
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0097 0.0476
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0111 0.1434 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0127 0.166 0.3596
Echinococcus multilocularis thymidylate synthase 0.0109 0.1402 0.1348
Brugia malayi Cation transporter family protein 0.0127 0.166 0.379
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0127 0.166 0.379
Plasmodium falciparum dihydroorotase, putative 0.0228 0.3106 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0127 0.166 0.1608
Schistosoma mansoni nAChR subunit 0.0127 0.166 0.1608
Trypanosoma brucei cytochrome P450, putative 0.002 0.0117 0.0571
Loa Loa (eye worm) CYP4Cod1 0.002 0.0117 0.0122
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Loa Loa (eye worm) dihydrofolate reductase 0.0045 0.0472 0.0922
Onchocerca volvulus 0.0127 0.166 1
Brugia malayi hypothetical protein 0.0052 0.0579 0.1225
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0127 0.166 0.1608
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0117 0.0122
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0029 0.0256 0.0458
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0127 0.166 0.1608
Schistosoma mansoni neurotransmitter gated ion channel 0.0029 0.0256 0.0194
Loa Loa (eye worm) hypothetical protein 0.0033 0.0304 0.0543
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Schistosoma mansoni microtubule-associated protein tau 0.0708 1 1
Schistosoma mansoni nAChR subunit 0.0127 0.166 0.1608
Schistosoma mansoni lamin 0.0055 0.0623 0.0564
Loa Loa (eye worm) hypothetical protein 0.0054 0.0609 0.123
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0127 0.166 0.379
Loa Loa (eye worm) inositol-1 0.0038 0.0376 0.0706
Brugia malayi follicle stimulating hormone receptor 0.0242 0.3315 0.7713
Schistosoma mansoni ap endonuclease 0.0018 0.0097 0.0035
Loa Loa (eye worm) RecQ helicase 0.0022 0.0146 0.0189
Chlamydia trachomatis dihydrofolate reductase 0.0045 0.0472 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0083 0.0046
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0888 0.0831
Brugia malayi hypothetical protein 0.0029 0.0256 0.0458
Onchocerca volvulus 0.0098 0.1237 0.6984
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0376 1
Schistosoma mansoni hypothetical protein 0.0172 0.2308 0.226
Schistosoma mansoni neurotransmitter gated ion channel 0.0029 0.0256 0.0194
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0265 0.1847
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0127 0.166 0.1608
Echinococcus granulosus glycine receptor subunit alpha 1 0.0127 0.166 0.1608
Brugia malayi intermediate filament protein 0.0055 0.0623 0.133
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0154 0.2043 0.6527
Onchocerca volvulus 0.0127 0.166 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0265 0.0557
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0127 0.166 0.1608
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Schistosoma mansoni hypothetical protein 0.0172 0.2308 0.226
Schistosoma mansoni 6-phosphofructokinase 0.0111 0.1434 0.138
Onchocerca volvulus 0.0127 0.166 1
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.1434 1
Leishmania major ATP-dependent phosphofructokinase 0.0111 0.1434 0.7019
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0097 0.0476
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0029 0.0256 0.0194
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0146 0.1021
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0098 0.1237 0.2785
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0127 0.166 0.1608
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0098 0.1237 0.2785
Schistosoma mansoni inositol monophosphatase 0.0038 0.0376 0.0316
Brugia malayi hypothetical protein 0.0073 0.0888 0.1957
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0127 0.166 0.379
Entamoeba histolytica hypothetical protein 0.0073 0.0888 0.6193
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0376 0.1842
Schistosoma mansoni nAChR subunit 0.0127 0.166 0.1608
Echinococcus multilocularis 6 phosphofructokinase 0.0111 0.1434 0.138
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0127 0.166 0.1608
Schistosoma mansoni inositol monophosphatase 0.0038 0.0376 0.0316
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0376 0.0704
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.0117 0.0146
Brugia malayi Kelch motif family protein 0.0047 0.0508 0.1056
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0376 0.2624
Mycobacterium ulcerans thymidylate synthase 0.0109 0.1402 0.9766
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0127 0.166 0.379
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Schistosoma mansoni nAChR subunit 0.0127 0.166 0.1608
Loa Loa (eye worm) GABA receptor subunit 0.0098 0.1237 0.2642
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0154 0.2043 1
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0047 0.0508 0.1002
Schistosoma mansoni lamin 0.0055 0.0623 0.0564
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.034 0.237
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0127 0.166 0.3596
Entamoeba histolytica hypothetical protein 0.0073 0.0888 0.6193
Loa Loa (eye worm) hypothetical protein 0.0055 0.0623 0.1262
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0127 0.166 0.379
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0127 0.166 0.379
Echinococcus multilocularis geminin 0.0172 0.2308 0.226
Echinococcus multilocularis integrin beta 2 0.0229 0.3127 0.3083
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0127 0.166 0.3596
Loa Loa (eye worm) hypothetical protein 0.0098 0.1237 0.2642
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0111 0.1434 0.7019
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0888 0.0831
Echinococcus multilocularis musashi 0.0055 0.0623 0.0564
Schistosoma mansoni acetylcholine receptor subunit beta 0.0029 0.0256 0.0194
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0376 0.2624
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0127 0.166 0.1608
Loa Loa (eye worm) hypothetical protein 0.0047 0.0508 0.1002
Echinococcus granulosus bloom syndrome protein 0.0022 0.0146 0.0084
Brugia malayi hypothetical protein 0.0029 0.0256 0.0458
Entamoeba histolytica hypothetical protein 0.0073 0.0888 0.6193
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0127 0.166 0.1608
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0154 0.2043 0.6466
Onchocerca volvulus 0.0127 0.166 1
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.1434 1
Brugia malayi Cytochrome P450 family protein 0.002 0.0117 0.0128
Echinococcus granulosus glycine receptor subunit alpha 1 0.0127 0.166 0.1608
Echinococcus multilocularis microtubule associated protein 2 0.0708 1 1
Brugia malayi Dihydrofolate reductase 0.0045 0.0472 0.0972
Loa Loa (eye worm) hypothetical protein 0.0098 0.1237 0.2642
Loa Loa (eye worm) hypothetical protein 0.0127 0.166 0.3596
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.1434 1
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.1434 1
Echinococcus granulosus intermediate filament protein 0.0055 0.0623 0.0564
Echinococcus multilocularis lamin dm0 0.0055 0.0623 0.0564
Echinococcus granulosus glycine receptor subunit beta 0.0127 0.166 0.1608
Brugia malayi hypothetical protein 0.0047 0.0508 0.1056
Schistosoma mansoni hypothetical protein 0.0035 0.033 0.0269
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.166 0.379
Brugia malayi hypothetical protein 0.0029 0.0256 0.0458
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0127 0.166 0.379
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0127 0.166 0.1608
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0111 0.1434 1
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0265 0.1847
Loa Loa (eye worm) thymidylate synthase 0.0109 0.1402 0.3015
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0376 0.0316
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0376 0.2088
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0319 0.1661
Schistosoma mansoni 6-phosphofructokinase 0.0111 0.1434 0.138
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Schistosoma mansoni hypothetical protein 0.0053 0.0588 0.0529
Echinococcus granulosus 6 phosphofructokinase 0.0111 0.1434 0.138
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0097 0.0678
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0045 0.0472 0.2807
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0256 0.0435
Loa Loa (eye worm) hypothetical protein 0.0027 0.0214 0.0341
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0376 0.2624
Echinococcus granulosus lamin dm0 0.0055 0.0623 0.0564
Echinococcus multilocularis glycine receptor subunit beta 0.0127 0.166 0.1608
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0029 0.0256 0.0194
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0623 0.1262
Echinococcus multilocularis glycine receptor subunit beta 0.0127 0.166 0.1608
Echinococcus granulosus integrin beta 2 0.0229 0.3127 0.3083
Loa Loa (eye worm) LGC-31 protein 0.0127 0.166 0.3596
Brugia malayi dihydrofolate reductase family protein 0.0045 0.0472 0.0972
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0097 0.0476
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0265 0.1847
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0265 0.1847
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0127 0.166 0.1608
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435
Brugia malayi 6-phosphofructokinase 0.0111 0.1434 0.3252
Loa Loa (eye worm) hypothetical protein 0.0029 0.0256 0.0435

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.2944 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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