Detailed information for compound 1278886

Basic information

Technical information
  • TDR Targets ID: 1278886
  • Name: 1-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)te trazol-5-yl]methyl]-4-methylpiperazine
  • MW: 422.523 | Formula: C23H30N6O2
  • H donors: 0 H acceptors: 3 LogP: 2.78 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(c1nnnn1CCc1ccccc1)N1CCN(CC1)C
  • InChi: 1S/C23H30N6O2/c1-27-13-15-28(16-14-27)22(19-9-10-20(30-2)21(17-19)31-3)23-24-25-26-29(23)12-11-18-7-5-4-6-8-18/h4-10,17,22H,11-16H2,1-3H3
  • InChiKey: VFMUGBFABSUSKZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methyl-piperazine
  • 1-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-methylpiperazine
  • 1-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-methyl-piperazine
  • ASN 05346445
  • SMR000004478
  • 1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
  • MLS000029863
  • Oprea1_211587

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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 histone-lysine n-methyltransferase setb1 0.0178 0.1196 0.1655
Brugia malayi jmjC domain containing protein 0.0037 0.0187 0.021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0178 0.1196 0.1655
Loa Loa (eye worm) mucolipin 1 0.0069 0.0414 0.0468
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.016 0.1065 0.1211
Loa Loa (eye worm) hypothetical protein 0.002 0.0066 0.0072
Brugia malayi Ets-domain containing protein 0.0073 0.0446 0.0505
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0066 0.0088
Loa Loa (eye worm) hypothetical protein 0.002 0.0066 0.0072
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0014 0.0021 0.0029
Loa Loa (eye worm) hypothetical protein 0.0101 0.0644 0.0731
Entamoeba histolytica hypothetical protein 0.007 0.0425 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0488 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0117 0.0952
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0394 1
Entamoeba histolytica hypothetical protein 0.0023 0.009 0.044
Loa Loa (eye worm) hypothetical protein 0.0079 0.0488 0.0553
Brugia malayi isocitrate dehydrogenase 0.0015 0.0032 0.0033
Onchocerca volvulus 0.003 0.0139 0.0074
Loa Loa (eye worm) histone methyltransferase 0.0016 0.0036 0.0038
Loa Loa (eye worm) hypothetical protein 0.002 0.0066 0.0072
Brugia malayi Bromodomain containing protein 0.0029 0.013 0.0146
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0066 0.0072
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0386 0.3039
Schistosoma mansoni voltage-gated potassium channel 0.0014 0.0021 0.0029
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0819 0.5785 0.8001
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0488 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0014 0.0023 0.0029
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0292 0.7196
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0292 0.2235
Schistosoma mansoni hypothetical protein 0.0029 0.013 0.018
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0032 0.0044
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0066 0.0091
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0066 0.0091
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0184 0.1239 0.1409
Loa Loa (eye worm) hypothetical protein 0.0505 0.3534 0.4025
Echinococcus multilocularis GPCR, family 2 0.016 0.1065 0.1471
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0488 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0014 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0178 0.1196 0.136
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.009 0.1596
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.1239 0.1711
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0066 0.0088
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0074 0.0081
Echinococcus granulosus short transient receptor potential channel 6 0.0197 0.1332 0.1841
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0014 0.0023 0.0029
Schistosoma mansoni hypothetical protein 0.016 0.1065 0.1473
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0066 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0066 0.0072
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0066 0.0072
Entamoeba histolytica hypothetical protein 0.007 0.0425 1
Echinococcus multilocularis snurportin 1 0.0308 0.2125 0.2938
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0488 0.3914
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0394 0.0544
Onchocerca volvulus Alhambra homolog 0.0029 0.013 0.0065
Schistosoma mansoni hypothetical protein 0.0431 0.3004 0.4156
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0074 0.0081
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0014 0.0021 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0066 0.0072
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0292 0.5963
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0066 0.0088
Echinococcus granulosus importin subunit beta 1 0.0029 0.0129 0.0175
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0066 0.0072
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0014 0.0021 0.0026
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0074 0.1169
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0014 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0307 0.2118 0.2411
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0074 0.0363
Loa Loa (eye worm) hypothetical protein 0.0345 0.2391 0.2722
Loa Loa (eye worm) hypothetical protein 0.002 0.0066 0.0072
Brugia malayi Latrophilin receptor protein 2 0.016 0.1065 0.1211
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0014 0.0021 0.0026
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0178 0.1196 0.1655
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.1239 0.1711
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0386 0.0531
Echinococcus granulosus peregrin 0.0029 0.013 0.0178
Giardia lamblia PHD finger protein 15 0.0029 0.013 1
Brugia malayi Pre-SET motif family protein 0.1237 0.8777 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.009 0.1596
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0178 0.1196 0.1653
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0604 0.0833
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.013 0.018
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0425 0.0586
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0066 0.0072
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0014 0.0021 0.0026
Echinococcus granulosus voltage gated potassium channel 0.0014 0.0021 0.0026
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0074 0.1169
Schistosoma mansoni transient receptor potential channel 0.0197 0.1332 0.1843
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0074 0.01
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.1239 0.1711
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0425 0.0586
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0014 0.0021 0.0021
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0073 0.0446 0.0505
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0066 0.0091
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0032 0.0042
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0032 0.0042
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0074 0.1459
Schistosoma mansoni cpg binding protein 0.0032 0.0151 0.0209
Echinococcus granulosus short transient receptor potential channel 6 0.0197 0.1332 0.1841
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0293 0.7375
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0066 0.0088
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0394 0.9099
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0394 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0129 0.1049
Brugia malayi Pre-SET motif family protein 0.0178 0.1196 0.136
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0032 0.0042
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0074 0.1169
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0014 0.0021 0.0026
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.013 0.0146
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0379 0.298
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0428 0.0592
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0066 0.0088
Schistosoma mansoni voltage-gated potassium channel 0.0014 0.0021 0.0029
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0014 0.0021 0.0029
Loa Loa (eye worm) hypothetical protein 0.0014 0.0021 0.0021
Brugia malayi jmjC domain containing protein 0.0095 0.0604 0.0685
Schistosoma mansoni hypothetical protein 0.016 0.1065 0.1473
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0036 0.0047
Leishmania major GTP-binding protein, putative 0.0021 0.0074 0.1169
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0488 0.0675
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0066 0.0088
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0178 0.1196 0.1653
Echinococcus granulosus hyperpolarization activated cyclic 0.0014 0.0021 0.0026
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0488 1
Brugia malayi ecdysteroid receptor 0.002 0.0066 0.0072
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0066 0.0072
Leishmania major hypothetical protein, conserved 0.0052 0.0292 0.7196
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.016 0.1065 0.1471
Echinococcus multilocularis short transient receptor potential channel 6 0.0197 0.1332 0.1841
Schistosoma mansoni thyroid hormone receptor 0.002 0.0066 0.0091
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0066 0.0091
Echinococcus granulosus jumonji domain containing protein 0.004 0.0212 0.0291
Echinococcus granulosus FTZ F1 alpha 0.0392 0.2725 0.3767
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0178 0.1196 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0066 0.0091
Echinococcus granulosus mucolipin 3 0.0069 0.0414 0.057
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0386 0.0534
Schistosoma mansoni transient receptor potential channel 0.0197 0.1332 0.1843
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0505 0.3534 0.4025
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0292 0.242
Plasmodium falciparum importin beta, putative 0.0029 0.0129 0.2585
Schistosoma mansoni hypothetical protein 0.1021 0.7229 1
Schistosoma mansoni hypothetical protein 0.0345 0.2391 0.3308
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0129 0.0175
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0014 0.0021 0.0026
Brugia malayi steroid hormone receptor 0.002 0.0066 0.0072
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0024 0.0091 0.0126
Schistosoma mansoni voltage-gated potassium channel 0.0014 0.0021 0.0029
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0129 0.0831
Loa Loa (eye worm) hypothetical protein 0.0029 0.013 0.0146
Echinococcus multilocularis transient receptor potential ion channel A 0.0288 0.1983 0.2741
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0066 0.0072
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0014 0.0021 0.0026
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0212 0.0291
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0066 0.0088
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0066 0.0088
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0352 0.0398
Echinococcus multilocularis hyperpolarization activated cyclic 0.0014 0.0021 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0066 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0066 0.0072
Echinococcus multilocularis hyperpolarization activated cyclic 0.0014 0.0021 0.0026
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0111 0.0715 0.0987
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.1193 0.1135
Brugia malayi F/Y-rich N-terminus family protein 0.0025 0.0103 0.0114
Loa Loa (eye worm) hypothetical protein 0.0029 0.0129 0.0144
Brugia malayi hypothetical protein 0.0307 0.2118 0.2411
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0014 0.0021 0.0021
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0488 0.5
Trichomonas vaginalis ran, putative 0.0021 0.0074 0.0053
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0014 0.0023 0.0029
Brugia malayi hypothetical protein 0.0052 0.0292 0.033
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0488 0.4058
Echinococcus granulosus TRP transient receptor potential channel 0.0111 0.0715 0.0987
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0014 0.0021 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0066 0.0072
Brugia malayi Importin beta-1 subunit 0.0029 0.0129 0.0144
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0386 0.0534
Echinococcus multilocularis short transient receptor potential channel 6 0.0197 0.1332 0.1841
Brugia malayi nuclear hormone receptor 0.002 0.0066 0.0072
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0066 0.0072
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0488 0.3914
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.009 0.0069
Loa Loa (eye worm) fli-1 protein 0.0222 0.1512 0.172
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0292 0.7196
Brugia malayi nuclear receptor NHR-88 0.002 0.0066 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0066 0.0072
Echinococcus granulosus histone lysine methyltransferase setb 0.0178 0.1196 0.1653
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0032 0.0238
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0187 0.0258
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0187 0.021
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0386 0.0531
Loa Loa (eye worm) latrophilin receptor protein 2 0.016 0.1065 0.1211
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0066 0.0088
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0014 0.0021 0.0026
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0014 0.0021 0.0026
Schistosoma mansoni transient receptor potential channel 4 0.0298 0.2054 0.2841
Brugia malayi hypothetical protein 0.007 0.0425 0.0482
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0066 0.0072
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.1239 0.1711
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0032 0.0042
Echinococcus multilocularis geminin 0.1021 0.7229 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0117 0.2346
Toxoplasma gondii hypothetical protein 0.0016 0.0034 0.0022
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0604 0.0833
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0074 0.01
Brugia malayi Transient-receptor-potential like protein 0.0111 0.0715 0.0812
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0066 0.0088
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0066 0.0088
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0488 0.0672
Plasmodium vivax SET domain protein, putative 0.0178 0.1196 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.1261 0.1434
Loa Loa (eye worm) hypothetical protein 0.0178 0.1193 0.1356
Plasmodium vivax hypothetical protein, conserved 0.0029 0.013 0.1064
Brugia malayi CXXC zinc finger family protein 0.003 0.0139 0.0155
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0505 0.3534 0.4025
Schistosoma mansoni hypothetical protein 0.016 0.1065 0.1473
Loa Loa (eye worm) hypothetical protein 0.0111 0.0715 0.0812
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0066 0.0088
Echinococcus granulosus mixed lineage leukemia protein mll 0.0014 0.0023 0.0029
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0292 0.5963
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0184 0.1239 0.1409
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.009 0.0069
Echinococcus multilocularis voltage gated potassium channel 0.0014 0.0021 0.0026
Entamoeba histolytica hypothetical protein 0.007 0.0425 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.1239 0.1714
Echinococcus granulosus hyperpolarization activated cyclic 0.0014 0.0021 0.0026
Schistosoma mansoni coup transcription factor 0.002 0.0066 0.0091
Plasmodium falciparum phd finger protein, putative 0.0029 0.013 0.2622
Schistosoma mansoni voltage-gated potassium channel 0.0014 0.0021 0.0029
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0292 0.7196
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0014 0.0021 0.0026
Onchocerca volvulus 0.0307 0.2118 0.2066
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0066 0.0088
Echinococcus multilocularis peregrin 0.0029 0.013 0.0178
Loa Loa (eye worm) hypothetical protein 0.005 0.0279 0.0315
Schistosoma mansoni thyroid hormone receptor 0.002 0.0066 0.0091
Brugia malayi RNA, U transporter 1 0.0082 0.0509 0.0577
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0386 1
Schistosoma mansoni ran 0.0021 0.0074 0.0103
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0488 1
Echinococcus granulosus cpg binding protein 0.0032 0.0151 0.0206
Echinococcus granulosus dnaJ subfamily B 0.0431 0.3004 0.4154
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0394 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0014 0.0021 0.0029
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.013 0.0178
Schistosoma mansoni mucolipin 0.0063 0.0373 0.0515
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.1239 0.1714
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0066 0.0072
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0293 0.0403
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0066 0.0091
Onchocerca volvulus 0.0178 0.1196 0.1138
Schistosoma mansoni hypothetical protein 0.1021 0.7229 1
Echinococcus granulosus snurportin 1 0.0308 0.2125 0.2938
Trichomonas vaginalis set domain proteins, putative 0.1408 1 1
Entamoeba histolytica hypothetical protein 0.007 0.0425 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0066 0.0072
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0129 0.2675
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0014 0.0021 0.0026
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0066 0.0088
Brugia malayi latrophilin 2 splice variant baaae 0.0345 0.2391 0.2722
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0032 0.0042
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0066 0.0088
Schistosoma mansoni cpg binding protein 0.003 0.0139 0.0192
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0032 0.0586
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0488 0.0672
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0394 0.0446
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0066 0.0072
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0394 1
Schistosoma mansoni nuclear hormone receptor 0.002 0.0066 0.0091
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0066 0.0072
Toxoplasma gondii hypothetical protein 0.0027 0.0117 0.0731
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0074 0.0592
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0014 0.0021 0.0029
Loa Loa (eye worm) hypothetical protein 0.002 0.0066 0.0072
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0464 0.0642
Schistosoma mansoni hypothetical protein 0.007 0.0425 0.0588
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0394 0.0542
Echinococcus granulosus transient receptor potential gamma protein 0.0298 0.2054 0.2839
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0066 0.0072
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0308 0.2125 0.2419
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.013 0.0178
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0394 0.0446
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0178 0.1196 0.1655
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0066 0.0072
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.016 0.1065 0.1471
Brugia malayi Ets-domain containing protein 0.0073 0.0446 0.0505
Loa Loa (eye worm) hypothetical protein 0.002 0.0066 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0066 0.0072
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0195 0.0267
Schistosoma mansoni gabp alpha 0.0073 0.0446 0.0617
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0187 0.0256
Brugia malayi Fli-1 protein 0.0222 0.1512 0.172
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0036 0.0047
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0066 0.0091
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0088 0.012
Echinococcus multilocularis cpg binding protein 0.0032 0.0151 0.0206
Loa Loa (eye worm) hypothetical protein 0.0298 0.2054 0.2338
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0139 0.0155
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0066 0.0072
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0488 1
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0195 0.0267
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0174 0.0239
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0171 0.1145 0.1582
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0187 0.0258
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1237 0.8777 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0394 0.0542
Brugia malayi Cyclic-nucleotide gated cation channel 0.0014 0.0021 0.0021
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.013 0.0846
Loa Loa (eye worm) hypothetical protein 0.002 0.0066 0.0072
Schistosoma mansoni cpg binding protein 0.0032 0.0151 0.0209
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0293 0.4744
Brugia malayi hypothetical protein 0.0033 0.0161 0.0181
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0066 0.0088
Echinococcus multilocularis mucolipin 3 0.0069 0.0414 0.057
Loa Loa (eye worm) hypothetical protein 0.016 0.1065 0.1211
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0066 0.0088
Brugia malayi N-terminal motif family protein 0.0178 0.1193 0.1356
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.016 0.1065 0.1471
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0066 0.0072
Echinococcus multilocularis transient receptor potential gamma protein 0.0298 0.2054 0.2839
Loa Loa (eye worm) hypothetical protein 0.0014 0.0021 0.0021
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0425 0.0588
Schistosoma mansoni mucolipin 0.0069 0.0414 0.0572
Brugia malayi Coelomocyte uptake defective protein 5 0.0069 0.0414 0.0468
Echinococcus granulosus transient receptor potential ion channel A 0.0288 0.1983 0.2741
Schistosoma mansoni ets-related 0.0222 0.1512 0.2091
Schistosoma mansoni ran 0.0021 0.0074 0.0103
Trichomonas vaginalis importin beta-1, putative 0.0023 0.009 0.0069
Echinococcus granulosus GA binding protein alpha chain 0.0073 0.0446 0.0614
Schistosoma mansoni voltage-gated potassium channel 0.0014 0.0021 0.0029
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.016 0.1065 0.1471
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0014 0.0021 0.0029
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0066 0.0091
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0066 0.0091
Loa Loa (eye worm) hypothetical protein 0.0063 0.037 0.0419
Loa Loa (eye worm) hypothetical protein 0.0052 0.0292 0.033
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0488 0.5
Echinococcus multilocularis GA binding protein alpha chain 0.0073 0.0446 0.0614
Brugia malayi Probable ClpP-like protease 0.0079 0.0488 0.0553
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0032 0.0033
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0066 0.0072
Echinococcus multilocularis dnaJ subfamily B 0.0431 0.3004 0.4154
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0032 0.0033
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0032 0.0042
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0129 0.2675
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.013 0.0846
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0386 0.9783
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0088 0.012
Echinococcus granulosus GPCR family 2 0.016 0.1065 0.1471
Echinococcus granulosus geminin 0.1021 0.7229 1
Schistosoma mansoni importin beta-1 0.0029 0.0129 0.0178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.1239 0.1714
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0293 0.7375
Schistosoma mansoni hypothetical protein 0.0308 0.2125 0.294
Schistosoma mansoni hypothetical protein 0.0023 0.0088 0.0122
Schistosoma mansoni hypothetical protein 0.016 0.1065 0.1473
Brugia malayi PHD-finger family protein 0.0029 0.013 0.0146
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0293 0.0403
Brugia malayi Calcitonin receptor-like protein seb-1 0.0505 0.3534 0.4025
Schistosoma mansoni transient receptor potential channel 0.0298 0.2054 0.2841

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.9285 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) 5.8048 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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