Detailed information for compound 1213964

Basic information

Technical information
  • TDR Targets ID: 1213964
  • Name: 2-(4-methylpiperazin-1-yl)-4,6-bis[(5-methyl- 1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin e
  • MW: 439.605 | Formula: C14H17N9S4
  • H donors: 0 H acceptors: 7 LogP: 3.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1nc(nc(n1)Sc1nnc(s1)C)Sc1nnc(s1)C
  • InChi: 1S/C14H17N9S4/c1-8-18-20-13(24-8)26-11-15-10(23-6-4-22(3)5-7-23)16-12(17-11)27-14-21-19-9(2)25-14/h4-7H2,1-3H3
  • InChiKey: QXONZSTYGSFSTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-methyl-1-piperazinyl)-4,6-bis[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1,3,5-triazine
  • 2-(4-methylpiperazin-1-yl)-4,6-bis[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-s-triazine
  • Oprea1_415338
  • Oprea1_132080
  • BIM-0004521.P001
  • CBMicro_004529
  • BAS 02232581
  • STOCK1S-88459
  • 2-(4-Methyl-piperazin-1-yl)-4,6-bis-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-[1,3,5]triazine
  • MLS000029299
  • SMR000011193

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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
Plasmodium falciparum JmjC domain-containing protein, putative 0.0015 0.0026 0.0319
Echinococcus granulosus excitatory amino acid transporter 2 0.0377 0.3964 0.3964
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0078 0.0078
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0043 0.0333 0.0333
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.026 0.1842
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0142 0.141 0.1388
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0015 0.0026 0.0183
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0784 0.0803
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.026 0.0266
Echinococcus multilocularis Excitatory amino acid transporter 0.0377 0.3964 0.3964
Chlamydia trachomatis glutamate symporter 0.0377 0.3964 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0043 0.0333 0.2362
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0078 0.0181
Echinococcus multilocularis muscleblind protein 1 0.0159 0.1592 0.1592
Brugia malayi nuclear receptor NHR-88 0.002 0.0078 0.0181
Echinococcus multilocularis dnaJ subfamily B 0.08 0.8581 0.8581
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0026 0.0183
Brugia malayi beta-lactamase 0.0142 0.141 0.3271
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0784 0.0803
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0483 0.0483
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.027 0.027
Trichomonas vaginalis importin beta-1, putative 0.0071 0.063 0.1279
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.018 0.1827 0.4239
Brugia malayi ecdysteroid receptor 0.002 0.0078 0.0181
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0142 0.141 0.1388
Schistosoma mansoni hypothetical protein 0.0334 0.35 0.35
Mycobacterium tuberculosis Probable reductase 0.0085 0.0784 0.0803
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2959 0.6009
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0109 0.1047 0.1047
Schistosoma mansoni hypothetical protein 0.0067 0.0588 0.0588
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0078 0.0078
Echinococcus multilocularis excitatory amino acid transporter 2 0.0377 0.3964 0.3964
Echinococcus multilocularis tumor protein p63 0.0408 0.4308 0.4308
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0078 0.0052
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0109 0.1047 0.1047
Loa Loa (eye worm) hypothetical protein 0.0067 0.0588 0.0564
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0015 0.0026 0.0183
Mycobacterium tuberculosis Probable lipase LipD 0.0142 0.141 0.1444
Echinococcus granulosus microtubule associated protein 2 0.0677 0.7238 0.7238
Echinococcus granulosus Excitatory amino acid transporter 0.0377 0.3964 0.3964
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0483 0.0483
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0197 0.0197
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0167 0.1679 0.1679
Echinococcus multilocularis importin subunit beta 1 0.0087 0.0809 0.0809
Echinococcus multilocularis cpg binding protein 0.0059 0.0507 0.0507
Schistosoma mansoni ap endonuclease 0.0037 0.026 0.026
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0109 0.1047 0.1047
Plasmodium falciparum glutathione reductase 0.0037 0.0265 0.3274
Plasmodium vivax hypothetical protein, conserved 0.0142 0.141 1
Echinococcus granulosus neutral amino acid transporter A 0.0377 0.3964 0.3964
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.2959 1
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0078 0.0078
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2959 0.6009
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0061 0.0061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0078 0.0052
Schistosoma mansoni thyroid hormone receptor 0.002 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0159 0.1592 0.157
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0109 0.1047 0.2429
Brugia malayi jmjC domain containing protein 0.0015 0.0026 0.006
Echinococcus granulosus Excitatory amino acid transporter 0.0377 0.3964 0.3964
Trichomonas vaginalis set domain proteins, putative 0.0465 0.4924 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.2959 1
Treponema pallidum glutamate/aspartate transporter 0.0167 0.1679 0.5675
Leishmania major hypothetical protein, conserved 0.0025 0.0127 0.0899
Echinococcus granulosus neutral amino acid transporter 0.0377 0.3964 0.3964
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0483 0.0483
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0043 0.0333 0.4115
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0509 0.0509
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0078 0.0181
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0265 0.0271
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0078 0.0078
Echinococcus granulosus sodium:dicarboxylate symporter 0.0377 0.3964 0.3964
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0518 0.0494
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.012 0.1165 0.1165
Schistosoma mansoni hypothetical protein 0.08 0.8581 0.8581
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0078 0.0078
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.026 0.1842
Brugia malayi jmjC domain containing protein 0.0015 0.0026 0.006
Echinococcus multilocularis excitatory amino acid transporter 3 0.0377 0.3964 0.3964
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0078 0.0181
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0197 0.0197
Onchocerca volvulus 0.0047 0.0371 0.0604
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0072 0.0072
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0078 0.0078
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0078 0.0078
Echinococcus granulosus translational activator gcn1 0.0016 0.0039 0.0039
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.2367 0.2367
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0035 0.0035
Trichomonas vaginalis ran, putative 0.0043 0.0333 0.0677
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0026 0.0026
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0789 0.8458 0.8458
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0121 0.1182 0.1182
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0026 0.0026
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0127 0.0899
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0052
Loa Loa (eye worm) beta-lactamase 0.0142 0.141 0.1388
Trypanosoma cruzi hypothetical protein, conserved 0.0142 0.141 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0087 0.0809 0.574
Loa Loa (eye worm) kap beta 3 protein 0.0016 0.0039 0.0013
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0127 0.0899
Echinococcus multilocularis neuropeptide receptor A26 0.045 0.4763 0.4763
Echinococcus multilocularis muscleblind protein 0.0159 0.1592 0.1592
Echinococcus granulosus GTP binding nuclear protein Ran 0.0043 0.0333 0.0333
Mycobacterium ulcerans hypothetical protein 0.0142 0.141 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1047 0.1024
Plasmodium falciparum thioredoxin reductase 0.0037 0.0265 0.3274
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0127 0.1566
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0052
Plasmodium vivax glutathione reductase, putative 0.0037 0.0265 0.1879
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0109 0.1047 0.2126
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1165 0.8264
Trichomonas vaginalis penicillin-binding protein, putative 0.0142 0.141 0.2864
Brugia malayi Muscleblind-like protein 0.0159 0.1592 0.3693
Loa Loa (eye worm) hypothetical protein 0.0142 0.141 0.1388
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0078 0.0181
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0052
Echinococcus multilocularis snurportin 1 0.093 1 1
Plasmodium vivax JmjC domain containing protein 0.0015 0.0026 0.0183
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0078 0.0078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.018 0.1827 0.1827
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.018 0.1827 0.1827
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.026 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0078 0.0181
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0377 0.3964 1
Schistosoma mansoni hypothetical protein 0.0031 0.0197 0.0197
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0035 0.0035
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0142 0.141 0.141
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.018 0.1827 0.1806
Leishmania major hypothetical protein, conserved 0.0016 0.0039 0.0278
Loa Loa (eye worm) excitatory amino acid transporter 0.0377 0.3964 0.3949
Trichomonas vaginalis D-aminoacylase, putative 0.0142 0.141 0.2864
Echinococcus granulosus neuropeptide s receptor 0.045 0.4763 0.4763
Onchocerca volvulus 0.006 0.0509 0.089
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0588 0.1365
Schistosoma mansoni hypothetical protein 0.0031 0.0197 0.0197
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.006 0.0511 0.0486
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0072 0.0072
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0078 0.0052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2959 0.6009
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0026 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0078 0.0052
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0026 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0078 0.0181
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0509 0.0509
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1373 0.9739
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0473 0.0473
Brugia malayi beta-lactamase family protein 0.0142 0.141 0.3271
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0127 0.0899
Brugia malayi Pre-SET motif family protein 0.0408 0.4311 1
Schistosoma mansoni ran 0.0043 0.0333 0.0333
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0026 0.0026
Schistosoma mansoni thyroid hormone receptor 0.002 0.0078 0.0078
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0142 0.141 0.1388
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0197 0.0457
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0078 0.0181
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0518 0.0518
Brugia malayi Importin beta-1 subunit 0.0087 0.0809 0.1878
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.026 0.0878
Trichomonas vaginalis esterase, putative 0.0142 0.141 0.2864
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0518 0.0518
Trichomonas vaginalis D-aminoacylase, putative 0.0142 0.141 0.2864
Trypanosoma brucei trypanothione reductase 0.0037 0.0265 0.1879
Trichomonas vaginalis D-aminoacylase, putative 0.0142 0.141 0.2864
Toxoplasma gondii aldehyde dehydrogenase 0.012 0.1165 0.8264
Brugia malayi kap beta 3 protein 0.0016 0.0039 0.0091
Trypanosoma cruzi hypothetical protein, conserved 0.0142 0.141 1
Onchocerca volvulus 0.0142 0.141 0.2749
Loa Loa (eye worm) hypothetical protein 0.0142 0.141 0.1388
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.007 0.0162
Onchocerca volvulus 0.0465 0.4924 1
Entamoeba histolytica hypothetical protein 0.0071 0.063 0.2023
Schistosoma mansoni nuclear hormone receptor 0.002 0.0078 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.1047 0.2126
Loa Loa (eye worm) hypothetical protein 0.006 0.0509 0.0485
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0078 0.0181
Toxoplasma gondii HEAT repeat-containing protein 0.0087 0.0809 0.574
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.018 0.1827 0.1827
Brugia malayi Thioredoxin reductase 0.0037 0.0265 0.0615
Leishmania major hypothetical protein, conserved 0.0142 0.141 1
Echinococcus granulosus muscleblind protein 0.0159 0.1592 0.1592
Echinococcus multilocularis microtubule associated protein 2 0.0677 0.7238 0.7238
Schistosoma mansoni cpg binding protein 0.0056 0.0472 0.0472
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0078 0.0181
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.026 0.0527
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0509 0.0509
Echinococcus granulosus dnaJ subfamily B 0.08 0.8581 0.8581
Echinococcus granulosus neuropeptide receptor A26 0.045 0.4763 0.4763
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2959 0.6009
Mycobacterium ulcerans esterase/lipase LipP 0.0142 0.141 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0142 0.141 0.2864
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0078 0.0078
Echinococcus granulosus tumor protein p63 0.0408 0.4308 0.4308
Toxoplasma gondii exonuclease III APE 0.0037 0.026 0.1842
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0888 0.0909
Mycobacterium tuberculosis Probable lipase LipE 0.0142 0.141 0.1444
Plasmodium vivax transportin, putative 0.0016 0.0039 0.0278
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0078 0.0181
Brugia malayi hypothetical protein 0.023 0.2367 0.5491
Echinococcus multilocularis Excitatory amino acid transporter 0.0377 0.3964 0.3964
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0078 0.0078
Leishmania major importin beta-1 subunit, putative 0.0071 0.063 0.4466
Leishmania major trypanothione reductase 0.0037 0.0265 0.1879
Echinococcus granulosus neutral amino acid transporter A 0.0377 0.3964 0.3964
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0167 0.1679 0.1679
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0078 0.0078
Brugia malayi jmjC domain containing protein 0.0057 0.0483 0.1121
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0509 0.0509
Brugia malayi nuclear hormone receptor 0.002 0.0078 0.0181
Onchocerca volvulus 0.0056 0.0472 0.0813
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0127 0.0899
Echinococcus granulosus importin 5 0.0016 0.0039 0.0039
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0784 0.0803
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0888 0.0909
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.2959 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0109 0.1047 0.1047
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0078 0.0078
Echinococcus granulosus cpg binding protein 0.0059 0.0507 0.0507
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0377 0.3964 0.4059
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0511 0.0511
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0926 0.2147
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0078 0.0078
Schistosoma mansoni cpg binding protein 0.0059 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.023 0.2367 0.2347
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0078 0.0181
Brugia malayi hypothetical protein 0.0025 0.0127 0.0294
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0109 0.1047 0.1047
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0197 0.0197
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.026 0.0655
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0078 0.0181
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0167 0.1679 0.1679
Leishmania major hypothetical protein, conserved 0.0015 0.0026 0.0183
Trypanosoma brucei Importin-beta N-terminal domain/HEAT-like repeat, putative 0.0016 0.0039 0.0278
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0078 0.0181
Echinococcus granulosus geminin 0.0334 0.35 0.35
Plasmodium vivax SET domain protein, putative 0.006 0.0509 0.3612
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.026 0.026
Schistosoma mansoni importin-beta 2 0.0016 0.0039 0.0039
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0109 0.1047 0.2126
Onchocerca volvulus 0.0142 0.141 0.2749
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0078 0.0078
Schistosoma mansoni survival motor neuron protein 0.0047 0.0371 0.0371
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0197 0.0197
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.093 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.018 0.1827 0.1827
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.026 0.0235
Echinococcus multilocularis transportin 1 0.0016 0.0039 0.0039
Treponema pallidum glutamate transporter 0.0167 0.1679 0.5675
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.026 0.0878
Trypanosoma brucei importin beta-1 subunit, putative 0.0087 0.0809 0.574
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0026 0.0026
Brugia malayi jmjC domain containing protein 0.0015 0.0026 0.006
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0043 0.0333 0.2362
Echinococcus granulosus excitatory amino acid transporter 2 0.0377 0.3964 0.3964
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0371 0.086
Loa Loa (eye worm) hypothetical protein 0.0031 0.0197 0.0171
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0015 0.0026 0.0183
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0061 0.0061
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0109 0.1047 0.7425
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0518 0.0518
Brugia malayi glutathione reductase 0.0037 0.0265 0.0615
Leishmania major GTP-binding protein, putative 0.0043 0.0333 0.2362
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0078 0.0078
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0109 0.1047 0.3539
Mycobacterium ulcerans lipase LipD 0.0142 0.141 1
Schistosoma mansoni hypothetical protein 0.0031 0.0197 0.0197
Mycobacterium tuberculosis Conserved protein 0.0142 0.141 0.1444
Mycobacterium leprae conserved hypothetical protein 0.0142 0.141 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.012 0.1165 0.8264
Plasmodium vivax importin-beta 2, putative 0.0087 0.0809 0.574
Loa Loa (eye worm) hypothetical protein 0.0142 0.141 0.1388
Schistosoma mansoni microtubule-associated protein tau 0.0677 0.7238 0.7238
Toxoplasma gondii thioredoxin reductase 0.0037 0.0265 0.1879
Schistosoma mansoni ap endonuclease 0.0037 0.026 0.026
Onchocerca volvulus 0.006 0.0511 0.0893
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0098 0.0926 0.0902
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0071 0.063 0.1279
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0078 0.0078
Echinococcus granulosus GPCR family 2 0.0031 0.0197 0.0197
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.026 0.026
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1373 0.1406
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0109 0.1047 0.7425
Mycobacterium tuberculosis Conserved protein 0.0142 0.141 0.1444
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0377 0.3964 0.3964
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0043 0.0333 0.0773
Echinococcus multilocularis neutral amino acid transporter A 0.0377 0.3964 0.3964
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0043 0.0333 0.2362
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.027 0.027
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0109 0.1047 0.7425
Brugia malayi steroid hormone receptor 0.002 0.0078 0.0181
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0026 0.0026
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0078 0.0078
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0909 0.9766 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0052
Schistosoma mansoni ran 0.0043 0.0333 0.0333
Schistosoma mansoni cpg binding protein 0.0059 0.0507 0.0507
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2959 0.6009
Echinococcus granulosus beta LACTamase domain containing family member 0.0142 0.141 0.141
Schistosoma mansoni hypothetical protein 0.093 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0109 0.1043 0.7397
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0078 0.0052
Echinococcus granulosus survival motor neuron protein 1 0.023 0.2367 0.2367
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.1165 0.1165
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0035 0.0035
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0509 0.0509
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0035 0.0035
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0784 0.0803
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.012 0.1165 0.1165
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0109 0.1047 0.1047
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0197 0.0457
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0142 0.141 0.141
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0078 0.0052
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0888 0.0909
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0078 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0078 0.0181
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.018 0.1827 0.1827
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0509 0.3612
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0142 0.141 0.3271
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0888 0.165
Echinococcus multilocularis neutral amino acid transporter A 0.0377 0.3964 0.3964
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0377 0.3964 0.802
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0159 0.1592 0.157
Toxoplasma gondii HEAT repeat-containing protein 0.0016 0.0039 0.0278
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0142 0.141 0.1444
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.1165 0.1165
Onchocerca volvulus 0.0142 0.141 0.2749
Toxoplasma gondii ABC1 family protein 0.0142 0.141 1
Echinococcus granulosus phd:f box containing protein 0.0015 0.0026 0.0026
Echinococcus granulosus FTZ F1 alpha 0.002 0.0078 0.0078
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0197 0.0171
Chlamydia trachomatis neutral amino acid transporter 0.0167 0.1679 0.4235
Trypanosoma cruzi importin beta-1 subunit, putative 0.0071 0.063 0.4466
Echinococcus granulosus ubiquitin specific protease 41 0.0109 0.1047 0.1047
Echinococcus granulosus transportin 1 0.0016 0.0039 0.0039
Echinococcus multilocularis excitatory amino acid transporter 2 0.0377 0.3964 0.3964
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.018 0.1827 0.1827
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0509 0.0509
Brugia malayi CXXC zinc finger family protein 0.0056 0.0472 0.1095
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0078 0.0078
Echinococcus multilocularis neuropeptide s receptor 0.045 0.4763 0.4763
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0127 0.0899
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.026 0.1842
Brugia malayi Excitatory amino acid transporter 0.0377 0.3964 0.9197
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0043 0.0333 0.0308
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.026 0.3209
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0142 0.141 0.1444
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.026 0.0603
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2959 0.6009
Echinococcus multilocularis GPCR, family 2 0.0031 0.0197 0.0197
Echinococcus multilocularis geminin 0.0334 0.35 0.35
Toxoplasma gondii HEAT repeat-containing protein 0.0016 0.0039 0.0278
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0078 0.0078
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0078 0.0181
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0078 0.0078
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0167 0.1679 0.1679
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0109 0.1047 0.7425
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0377 0.3964 0.3964
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0265 0.1879
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0483 0.0483
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.2959 1
Schistosoma mansoni hypothetical protein 0.0334 0.35 0.35
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0071 0.063 0.1279
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0026 0.0026
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1373 0.9413
Mycobacterium tuberculosis Probable esterase LipL 0.0142 0.141 0.1444
Plasmodium falciparum importin beta, putative 0.0087 0.0809 1
Mycobacterium ulcerans beta-lactamase 0.0142 0.141 1
Echinococcus multilocularis translational activator gcn1 0.0016 0.0039 0.0039
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0026 0.0026
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0035 0.0035
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.026 0.1842
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.026 0.0756
Entamoeba histolytica Ran family GTPase 0.0043 0.0333 0.1007
Echinococcus multilocularis beta LACTamase domain containing family member 0.0142 0.141 0.141
Schistosoma mansoni hypothetical protein 0.0031 0.0197 0.0197
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0043 0.0333 0.2362
Schistosoma mansoni hypothetical protein 0.0047 0.0371 0.0371
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1165 0.8264
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0026 0.0183
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0078 0.0078
Mycobacterium leprae Probable lipase LipE 0.0142 0.141 1
Echinococcus granulosus importin subunit beta 1 0.0087 0.0809 0.0809
Brugia malayi jmjC domain containing protein 0.006 0.0518 0.1202
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0052
Loa Loa (eye worm) hypothetical protein 0.0087 0.0809 0.0786
Mycobacterium tuberculosis Probable hydrolase 0.0142 0.141 0.1444
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0052
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0127 0.1566
Trypanosoma brucei hypothetical protein, conserved 0.0142 0.141 1
Loa Loa (eye worm) glutathione reductase 0.0037 0.0265 0.024
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0043 0.0333 0.1126
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.012 0.1165 0.1193
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0926 0.0902
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0109 0.1047 0.1047
Plasmodium falciparum transportin 0.0016 0.0039 0.0484
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0265 0.024
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0265 0.1879
Loa Loa (eye worm) CXXC zinc finger family protein 0.0056 0.0472 0.0447
Schistosoma mansoni importin beta-1 0.0087 0.0809 0.0809
Echinococcus multilocularis neutral amino acid transporter A 0.0377 0.3964 0.3964
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.018 0.1827 0.1827
Brugia malayi jmjC domain containing protein 0.0015 0.0026 0.006
Brugia malayi hypothetical protein 0.0016 0.0032 0.0074
Loa Loa (eye worm) histone methyltransferase 0.002 0.0072 0.0047
Brugia malayi Pre-SET motif family protein 0.006 0.0509 0.1182
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0052
Echinococcus multilocularis importin 5 0.0016 0.0039 0.0039
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0926 0.2147
Loa Loa (eye worm) hypothetical protein 0.0025 0.0127 0.0101
Mycobacterium tuberculosis Conserved protein 0.0142 0.141 0.1444
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0377 0.3964 0.3964
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0109 0.1047 0.3452
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0078 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0078 0.0052
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0142 0.141 0.1444
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.026 0.1842
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.026 0.1842
Echinococcus granulosus excitatory amino acid transporter 3 0.0377 0.3964 0.3964
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0078 0.0181
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0142 0.141 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0408 0.4311 0.4296
Brugia malayi beta-lactamase family protein 0.0142 0.141 0.3271
Brugia malayi RNA, U transporter 1 0.0248 0.2561 0.5941
Schistosoma mansoni coup transcription factor 0.002 0.0078 0.0078
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0784 0.0803
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0016 0.0039 0.0278
Loa Loa (eye worm) hypothetical protein 0.0142 0.141 0.1388
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0078 0.0052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2959 0.6009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2959 0.6009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0509 0.0509
Loa Loa (eye worm) hypothetical protein 0.002 0.0078 0.0052
Loa Loa (eye worm) importin-beta domain-containing protein 0.0016 0.0039 0.0013
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1165 0.8264
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0043 0.0333 0.2362
Trichomonas vaginalis hypothetical protein 0.0016 0.0039 0.0079

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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