Detailed information for compound 1272206

Basic information

Technical information
  • TDR Targets ID: 1272206
  • Name: 7-[4-(phenoxy)phenyl]-2-(4-phenylpiperazin-1- yl)-[1,2,4]triazolo[1,5-a]pyrimidine
  • MW: 448.519 | Formula: C27H24N6O
  • H donors: 0 H acceptors: 3 LogP: 5.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)Oc1ccc(cc1)c1ccnc2n1nc(n2)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C27H24N6O/c1-3-7-22(8-4-1)31-17-19-32(20-18-31)27-29-26-28-16-15-25(33(26)30-27)21-11-13-24(14-12-21)34-23-9-5-2-6-10-23/h1-16H,17-20H2
  • InChiKey: VIQRLINVXXCPEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[4-(phenoxy)phenyl]-2-(4-phenyl-1-piperazinyl)-[1,2,4]triazolo[1,5-a]pyrimidine
  • 3D-076
  • 7-(4-phenoxyphenyl)-2-(4-phenylpiperazino)[1,2,4]triazolo[1,5-a]pyrimidine
  • MLS000546317
  • SMR000169487
  • Oprea1_447712

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0174
Giardia lamblia Telomerase catalytic subunit 0.051 0.267 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0177 0.0683
Echinococcus granulosus axis inhibition protein axin 0.0021 0.0026 0.0101
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.051 0.267 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0329 0.1752
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0033 0.0122
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0287 0.1466 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.0743 0.1026
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0838 0.6328
Schistosoma mansoni hypothetical protein 0.0074 0.0317 0.1757
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0084 0.0315
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0021 0.0026 0.0051
Echinococcus multilocularis geminin 0.035 0.1807 0.3469
Echinococcus granulosus chromobox protein 1 0.0075 0.0319 0.1229
Echinococcus granulosus regulator of G protein signaling 3 0.0021 0.0026 0.0101
Echinococcus granulosus expressed protein 0.04 0.2079 0.8009
Entamoeba histolytica hypothetical protein 0.0074 0.0317 0.6669
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0004 0.0017
Brugia malayi Smad1 0.0025 0.0049 0.0067
Brugia malayi MH2 domain containing protein 0.0025 0.0049 0.0067
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0022 0.0033 0.0122
Schistosoma mansoni hypothetical protein 0.0031 0.0084 0.0466
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0177 0.0945
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0309 0.1583 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.006 0.0322
Schistosoma mansoni chromobox protein 0.0075 0.0319 0.1766
Echinococcus multilocularis regulator of G protein signaling 7 0.0021 0.0026 0.0051
Mycobacterium ulcerans dehydrogenase 0.0022 0.0033 0.0179
Onchocerca volvulus 0.0089 0.0397 0.0366
Schistosoma mansoni hypothetical protein 0.0048 0.0177 0.0981
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0142 0.1041
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0004 0.0017
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0838 0.6328
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0022 0.0033 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0142 0.1041
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0021 0.0026 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0026 0.0166
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0022 0.0033 0.0122
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0329 0.1819
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.0743 0.3962
Loa Loa (eye worm) hypothetical protein 0.0105 0.0481 0.2565
Echinococcus multilocularis peregrin 0.0031 0.0084 0.0162
Giardia lamblia PHD finger protein 15 0.0031 0.0084 0.0299
Echinococcus multilocularis L aminoadipate semialdehyde 0.0089 0.0397 0.0762
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0177 0.034
Echinococcus granulosus regulator of G protein signaling 7 0.0021 0.0026 0.0101
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0317 0.0609
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.014
Echinococcus multilocularis musashi 0.0027 0.006 0.0116
Trypanosoma brucei trypanothione reductase 0.0048 0.0173 0.0647
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0159 0.0127
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0329 0.1819
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0004 0.0017
Echinococcus multilocularis regulator of G protein signaling 0.0021 0.0026 0.0051
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0026 0.0146
Echinococcus multilocularis lamin 0.0027 0.006 0.0116
Brugia malayi Regulator of G protein signaling domain containing protein 0.0021 0.0026 0.0036
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0004 0.0009
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0264 0.1408
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1322 1
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1322 1
Echinococcus granulosus regulator of G protein signaling 3 0.0021 0.0026 0.0101
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0025 0.0051 0.0293
Trypanosoma cruzi UDP-galactopyranose mutase 0.0022 0.0033 0.0122
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0004 0.0017
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0049 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0026 0.0166
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0174
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0089 0.0397 0.2198
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1322 1
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0463 0.3478
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0025 0.0051 0.019
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0021 0.0028 0.0039
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.012 0.0638
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.0503 0.8776
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0004 0.0017
Brugia malayi MH2 domain containing protein 0.0025 0.0049 0.0067
Entamoeba histolytica hypothetical protein 0.0074 0.0317 0.6669
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0021 0.0026 0.014
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.0568 0.3878
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0075 0.0539
Loa Loa (eye worm) transcription factor SMAD2 0.0363 0.1877 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0004 0.0017
Echinococcus granulosus axis inhibition protein axin 0.0021 0.0026 0.0101
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0022 0.0033 0.0179
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0159 0.1171
Plasmodium falciparum glutathione reductase 0.0017 0.0004 0.0017
Echinococcus granulosus intermediate filament protein 0.0027 0.006 0.0233
Echinococcus granulosus peregrin 0.0031 0.0084 0.0324
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.051 0.267 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0004 0.0017
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0004 0.0017
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0021 0.0026 0.0146
Plasmodium vivax glutathione reductase, putative 0.0048 0.0173 0.0647
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0026 0.0166
Schistosoma mansoni z-protein (S1r protein) 0.0021 0.0026 0.0146
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0329 0.0631
Echinococcus granulosus beta-adrenergic receptor kinase 0.0021 0.0028 0.0108
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0174
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1322 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0022 0.0033 0.0063
Echinococcus granulosus lamin dm0 0.0027 0.006 0.0233
Brugia malayi amine oxidase, flavin-containing family protein 0.0022 0.0033 0.0045
Brugia malayi regulator of G-protein signaling rgs-7 0.0021 0.0026 0.0036
Loa Loa (eye worm) hypothetical protein 0.0027 0.006 0.0322
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0033 0.0223
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0004 0.0017
Echinococcus multilocularis lamin dm0 0.0027 0.006 0.0116
Schistosoma mansoni chromobox protein 0.0075 0.0319 0.1766
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0101 0.0463 0.1783
Echinococcus granulosus chromobox protein 1 0.0075 0.0319 0.1229
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0021 0.0028 0.015
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0026 0.0166
Loa Loa (eye worm) glutathione reductase 0.0048 0.0173 0.0921
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0838 0.6328
Echinococcus multilocularis 0.0022 0.0033 0.0063
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0028 0.0156
Echinococcus granulosus lysine specific histone demethylase 1A 0.0022 0.0033 0.0126
Echinococcus multilocularis regulator of G protein signaling 7 0.0021 0.0026 0.0051
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.0743 0.1026
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0033 0.0122
Schistosoma mansoni intermediate filament proteins 0.0027 0.006 0.0334
Onchocerca volvulus Alhambra homolog 0.0031 0.0084 0.0052
Loa Loa (eye worm) PXA domain-containing protein 0.0021 0.0026 0.014
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0173 0.0647
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0004 0.0017
Echinococcus granulosus neuropeptide receptor A26 0.0496 0.2596 1
Brugia malayi hypothetical protein 0.0074 0.0317 0.0438
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.0463 0.1734
Brugia malayi MH1 domain containing protein 0.0025 0.0049 0.0067
Plasmodium falciparum thioredoxin reductase 0.0048 0.0173 0.0647
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0173 0.0647
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.012 0.0663
Trypanosoma cruzi UDP-galactopyranose mutase 0.0022 0.0033 0.0122
Loa Loa (eye worm) RGS-3 protein 0.0021 0.0026 0.014
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0317 0.1223
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.015 0.0289
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0004 0.0017
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0084 0.0324
Echinococcus granulosus lysine specific histone demethylase 1A 0.0022 0.0033 0.0126
Loa Loa (eye worm) hypothetical protein 0.0031 0.0084 0.0449
Onchocerca volvulus 0.0027 0.006 0.0028
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0173 0.0666
Schistosoma mansoni hypothetical protein 0.0048 0.0177 0.0981
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0004 0.0017
Echinococcus granulosus L aminoadipate semialdehyde 0.0089 0.0397 0.153
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.014
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0004 0.0006
Echinococcus granulosus lamin 0.0027 0.006 0.0233
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0463 0.3478
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0004 0.0025
Echinococcus granulosus neuropeptide s receptor 0.0496 0.2596 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0089 0.0397 0.0548
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0022 0.0033 0.0122
Schistosoma mansoni kinase 0.0051 0.0194 0.1071
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0309 0.1583 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0049 0.026
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0838 0.6328
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.0319 0.17
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.0568 0.3878
Schistosoma mansoni hypothetical protein 0.035 0.1807 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.014
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0004 0.0017
Echinococcus granulosus Regulator of G protein signaling 20 0.0021 0.0026 0.0101
Echinococcus multilocularis regulator of G protein signaling 3 0.0021 0.0026 0.0051
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0004 0.0017
Chlamydia trachomatis protoporphyrinogen oxidase 0.0022 0.0033 0.6091
Toxoplasma gondii thioredoxin reductase 0.0048 0.0173 0.0647
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0025 0.0051 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0021 0.0026 0.0146
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0173 0.0921
Mycobacterium ulcerans monoamine oxidase 0.0022 0.0033 0.0179
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0173 0.0332
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0173 0.1179
Plasmodium falciparum protoporphyrinogen oxidase 0.0022 0.0033 0.0122
Leishmania major UDP-galactopyranose mutase 0.0022 0.0033 0.0122
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0049 0.0188
Brugia malayi chromobox protein homolog 3 0.0042 0.0142 0.0195
Brugia malayi Thioredoxin reductase 0.0048 0.0173 0.0239
Echinococcus multilocularis smad 0.0025 0.0049 0.0094
Brugia malayi jmjC domain containing protein 0.0038 0.012 0.0165
Brugia malayi Bromodomain containing protein 0.0031 0.0084 0.0116
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0051 0.019
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0101 0.0463 0.2466
Brugia malayi Telomerase reverse transcriptase 0.1356 0.7245 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0101 0.0463 0.1734
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0026 0.0146
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.5209 1
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0028 0.0156
Trypanosoma brucei polo-like protein kinase 0.0101 0.0463 0.1734
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.0503 0.3431
Schistosoma mansoni smad1 5 8 and 0.0025 0.0049 0.027
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1322 1
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0021 0.0026 0.0166
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.006 0.0322
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0028 0.0156
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0186 0.138
Brugia malayi glutathione reductase 0.0048 0.0173 0.0239
Loa Loa (eye worm) hypothetical protein 0.0048 0.0177 0.0945
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0075 0.0539
Brugia malayi MH2 domain containing protein 0.0363 0.1877 0.259
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0102 0.0469 0.1806
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0022 0.0033 0.0181
Onchocerca volvulus 0.0027 0.006 0.0028
Brugia malayi RNA binding protein 0.0076 0.0329 0.0454
Giardia lamblia Kinase, PLK 0.0101 0.0463 0.172
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0463 0.3478
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0329 0.0454
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0838 0.6328
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0838 0.6328
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.0503 0.3431
Brugia malayi PHD-finger family protein 0.0031 0.0084 0.0116
Onchocerca volvulus Glucosylceramidase homolog 0.0171 0.0838 0.0808
Mycobacterium ulcerans oxidoreductase 0.0022 0.0033 0.0179
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0355 0.1964
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.006 0.0083
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0004 0.0017
Schistosoma mansoni smad1 5 8 and 0.0025 0.0049 0.027
Toxoplasma gondii histone lysine-specific demethylase 0.0022 0.0033 0.0122
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0022 0.0033 0.0181
Brugia malayi regulator of G-protein signaling egl-10 0.0021 0.0026 0.0036
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0084 0.0449
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.1322 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0004 0.0017
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0174
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0101 0.0463 0.0888
Brugia malayi hypothetical protein 0.0021 0.0026 0.0036
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0004 0.0031
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0049 0.0188
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0329 0.1752
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0025 0.0051 1
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.0463 0.2561
Entamoeba histolytica hypothetical protein 0.0074 0.0317 0.6669
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0026 0.0146
Entamoeba histolytica hypothetical protein 0.0074 0.0317 0.6669
Schistosoma mansoni smad 0.0025 0.0049 0.027
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0004 0.0017
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.0503 0.3431
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.026 0.1322 0.7047
Echinococcus multilocularis neuropeptide receptor A26 0.0496 0.2596 0.4984
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0463 0.3478
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0319 0.2387
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0022 0.0033 0.0122
Schistosoma mansoni lamin 0.0027 0.006 0.0334
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0838 0.6328
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0004 0.0017
Brugia malayi Heterochromatin protein 1 0.0075 0.0319 0.044
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0084 0.0466
Schistosoma mansoni Smad4 0.0025 0.0049 0.027
Echinococcus multilocularis axis inhibition protein axin 0.0021 0.0026 0.0051
Plasmodium falciparum glutathione reductase 0.0048 0.0173 0.0647
Loa Loa (eye worm) hypothetical protein 0.0054 0.0205 0.1092
Echinococcus multilocularis Smad4 0.0025 0.0049 0.0094
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0025 0.0051 1
Brugia malayi hypothetical protein 0.0022 0.0033 0.0045
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0004 0.0017
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0329 0.1752
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0021 0.0028 0.015
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.012 0.0461
Echinococcus granulosus jumonji domain containing protein 0.0044 0.015 0.0579
Brugia malayi Regulator of G protein signaling domain containing protein 0.0021 0.0026 0.0036
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0329 0.1819
Echinococcus multilocularis GPCR, family 2 0.0048 0.0177 0.034
Toxoplasma gondii RNA-directed DNA polymerase 0.051 0.267 1
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0159 0.1171
Brugia malayi SWIRM domain containing protein 0.0022 0.0033 0.0045
Brugia malayi PXA domain containing protein 0.0021 0.0026 0.0036
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.014
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0026 0.0146
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.0503 0.3431
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0051 0.019
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0051 0.019
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0084 0.0315
Plasmodium vivax telomerase reverse transcriptase, putative 0.051 0.267 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0026 0.0166
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.012 0.023
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0084 0.0315
Echinococcus granulosus Smad4 0.0025 0.0049 0.0188
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0004 0.0017
Entamoeba histolytica hypothetical protein 0.0025 0.0051 0.056
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0021 0.0026 0.0101
Brugia malayi PXA domain containing protein 0.0021 0.0026 0.0036
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0317 0.1757
Brugia malayi jmjC domain containing protein 0.0102 0.0469 0.0647
Echinococcus granulosus GPCR family 2 0.0048 0.0177 0.0683
Brugia malayi MH1 domain containing protein 0.0025 0.0049 0.0067
Schistosoma mansoni hypothetical protein 0.035 0.1807 1
Leishmania major trypanothione reductase 0.0048 0.0173 0.0647
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.0503 0.3431
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0177 0.034
Onchocerca volvulus 0.0033 0.0093 0.006
Leishmania major telomerase reverse transcriptase, putative 0.051 0.267 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0025 0.0051 0.0293
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.026 0.1322 0.1825
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0177 0.0245
Mycobacterium leprae conserved hypothetical protein 0.0025 0.0051 0.0338
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0026 0.0146
Echinococcus granulosus tar DNA binding protein 0.0076 0.0329 0.1266
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.014
Mycobacterium tuberculosis Probable reductase 0.0109 0.0503 0.3431
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0026 0.0166
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0004 0.0017
Trypanosoma brucei telomerase reverse transcriptase 0.051 0.267 1
Schistosoma mansoni axis inhibition protein axin 0.0021 0.0026 0.0146
Echinococcus granulosus regulator of G protein signaling 7 0.0021 0.0026 0.0101
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0329 0.1819
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0463 0.3478
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0004 0.0017
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0177 0.0683
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0025 0.0051 0.019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0174
Echinococcus multilocularis axis inhibition protein axin 0.0021 0.0026 0.0051
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0102 0.0469 0.09
Schistosoma mansoni lamin 0.0027 0.006 0.0334
Loa Loa (eye worm) MH2 domain-containing protein 0.0363 0.1877 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0084 0.0162
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0049 0.027
Onchocerca volvulus Serine\/threonine kinase homolog 0.0101 0.0463 0.0432
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0463 0.3478
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0049 0.0094
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.0568 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0142 0.0755
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0004 0.0017
Schistosoma mansoni smad1 5 8 and 0.0025 0.0049 0.027
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.0463 0.3478
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0049 0.026
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0004 0.0017
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.014
Echinococcus multilocularis chromobox protein 1 0.0075 0.0319 0.0613
Loa Loa (eye worm) hypothetical protein 0.0033 0.0093 0.0494
Brugia malayi hypothetical protein 0.0021 0.0026 0.0036
Echinococcus granulosus smad 0.0025 0.0049 0.0188
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0319 0.2387
Mycobacterium tuberculosis Possible oxidoreductase 0.0022 0.0033 0.0223
Schistosoma mansoni hypothetical protein 0.0048 0.0177 0.0981
Plasmodium falciparum thioredoxin reductase 0.0017 0.0004 0.0017
Brugia malayi A-kinase anchor protein 10, precursor 0.0021 0.0026 0.0036
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0025 0.0051 0.0346
Entamoeba histolytica serine/threonine protein kinase, putative 0.0101 0.0463 1
Plasmodium falciparum phd finger protein, putative 0.0031 0.0084 0.0315
Echinococcus multilocularis protoporphyrinogen oxidase 0.0022 0.0033 0.0063
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.0568 0.3878
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0142 0.0109
Loa Loa (eye worm) hypothetical protein 0.0089 0.0397 0.2117
Echinococcus multilocularis neuropeptide s receptor 0.0496 0.2596 0.4984
Leishmania major phosphopantetheinyl transferase-like protein 0.0025 0.0051 0.019
Brugia malayi serine/threonine-protein kinase plk-2 0.0101 0.0463 0.0639
Echinococcus granulosus geminin 0.035 0.1807 0.6961
Echinococcus multilocularis Regulator of G protein signaling 20 0.0021 0.0026 0.0051
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0888 0.6706
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0888 0.6706
Echinococcus multilocularis regulator of G protein signaling 3 0.0021 0.0026 0.0051
Plasmodium falciparum telomerase reverse transcriptase 0.051 0.267 1
Schistosoma mansoni amine oxidase 0.0022 0.0033 0.0181
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.0463 0.1734
Loa Loa (eye worm) hypothetical protein 0.0153 0.0743 0.3962
Schistosoma mansoni hypothetical protein 0.0105 0.0481 0.2664
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.012 0.0663
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0329 0.1819
Schistosoma mansoni amine oxidase 0.0022 0.0033 0.0181
Schistosoma mansoni axis inhibition protein axin 0.0021 0.0026 0.0146
Loa Loa (eye worm) Smad1 0.0025 0.0049 0.026
Brugia malayi intermediate filament protein 0.0027 0.006 0.0083
Brugia malayi TAR-binding protein 0.0076 0.0329 0.0454
Echinococcus multilocularis chromobox protein 1 0.0075 0.0319 0.0613
Echinococcus multilocularis beta adrenergic receptor kinase 0.0021 0.0028 0.0054
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0177 0.0245
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0174
Schistosoma mansoni hypothetical protein 0.0048 0.0177 0.0981
Echinococcus multilocularis expressed protein 0.04 0.2079 0.3991
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0186 0.138
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.0481 0.0664
Loa Loa (eye worm) hypothetical protein 0.0026 0.0058 0.0308

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.6109 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 10.3183 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 39.8107 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) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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