Detailed information for compound 1336235

Basic information

Technical information
  • TDR Targets ID: 1336235
  • Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-( 4-hydroxyphenyl)piperazin-1-yl]ethanone
  • MW: 360.434 | Formula: C16H20N6O2S
  • H donors: 1 H acceptors: 5 LogP: 1.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nnnn1C1CC1
  • InChi: 1S/C16H20N6O2S/c23-14-5-3-12(4-6-14)20-7-9-21(10-8-20)15(24)11-25-16-17-18-19-22(16)13-1-2-13/h3-6,13,23H,1-2,7-11H2
  • InChiKey: VGEMWGVBXIGDFN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-[4-(4-hydroxyphenyl)-1-piperazinyl]ethanone
  • 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
  • 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
  • T5564331
  • ZINC08395610

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0164 0.5384 1
Echinococcus multilocularis multidrug resistance protein 1 0.0066 0.1683 0.3046
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.4145 0.6951
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.1224 0.2849
Schistosoma mansoni multidrug resistance protein 0.0066 0.1683 0.276
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.4145 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0066 0.1683 0.4059
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0061 0.0147
Trichomonas vaginalis taga, putative 0.0066 0.1683 0.1632
Loa Loa (eye worm) hypothetical protein 0.0036 0.0543 0.0559
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0521 0.0463
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0066 0.1683 0.1632
Trichomonas vaginalis ABC transporter, putative 0.0066 0.1683 0.1632
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0164 0.5384 0.6172
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0066 0.1683 0.1632
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0543 0.0906
Echinococcus granulosus multidrug resistance protein 1 0.0066 0.1683 0.3046
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0736 0.0783
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0521 0.0334
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0331 0.0661
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0543 0.0906
Brugia malayi Pre-SET motif family protein 0.0036 0.0543 0.0559
Schistosoma mansoni voltage-gated potassium channel 0.003 0.0323 0.0446
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0616 0.1361
Entamoeba histolytica P-glycoprotein-2 0.0066 0.1683 0.3971
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0066 0.1683 0.3046
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.1117 0.1797
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0164 0.5384 1
Schistosoma mansoni smdr2 0.0066 0.1683 0.276
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0037 0.0565 0.0946
Loa Loa (eye worm) hypothetical protein 0.006 0.1456 0.1618
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0066 0.1683 0.3046
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0493 0.0811
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0521 0.0463
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0066 0.1683 0.1632
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0066 0.1683 0.1632
Echinococcus multilocularis multidrug resistance protein 1 0.0066 0.1683 0.3046
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0037 0.0565 0.0857
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0616 0.0502
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.4145 0.4109
Brugia malayi Cyclic-nucleotide gated cation channel 0.0037 0.0565 0.0584
Schistosoma mansoni DNA polymerase eta 0.0054 0.1224 0.1981
Loa Loa (eye worm) hypothetical protein 0.0041 0.0736 0.0783
Leishmania major p-glycoprotein 0.0066 0.1683 0.3971
Brugia malayi 6-phosphofructokinase 0.0131 0.4145 0.4735
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0066 0.1683 0.3046
Trichomonas vaginalis ABC transporter, putative 0.0066 0.1683 0.1632
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0037 0.0565 0.0857
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0066 0.1683 0.1632
Loa Loa (eye worm) phosphofructokinase 0.0131 0.4145 0.4735
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0521 0.1406
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0164 0.5384 0.6172
Echinococcus multilocularis dna polymerase eta 0.0054 0.1224 0.2186
Plasmodium vivax SET domain protein, putative 0.0036 0.0543 0.157
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0543 0.0373
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0066 0.1683 0.1632
Schistosoma mansoni hypothetical protein 0.0041 0.0736 0.1149
Loa Loa (eye worm) hypothetical protein 0.0143 0.4591 0.5252
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0331 0.0661
Brugia malayi ABC transporter family protein 0.0066 0.1683 0.188
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0066 0.1683 0.2376
Loa Loa (eye worm) hypothetical protein 0.0181 0.602 0.6909
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0066 0.1683 0.1632
Onchocerca volvulus 0.0066 0.1683 0.1205
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0066 0.1683 0.1632
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0521 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0331 0.0661
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.4145 0.4735
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0037 0.0565 0.0584
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0066 0.1683 0.1632
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0051 0.1117 0.1983
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0066 0.1683 0.3971
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0046 0.0927 0.0871
Loa Loa (eye worm) hypothetical protein 0.0066 0.1683 0.188
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0521 0.1406
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.4145 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0066 0.1683 0.1632
Plasmodium vivax multidrug resistance protein 1, putative 0.0066 0.1683 1
Trichomonas vaginalis ABC transporter, putative 0.0066 0.1683 0.1632
Echinococcus granulosus hyperpolarization activated cyclic 0.0037 0.0565 0.0946
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0037 0.0565 0.0946
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0543 0.082
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0037 0.0565 0.0946
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.4145 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0066 0.1683 0.1632
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0066 0.1683 0.3046
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0521 0.1406
Brugia malayi multidrug resistance protein 3 0.0066 0.1683 0.188
Echinococcus granulosus multidrug resistance protein 1 0.0046 0.0927 0.1626
Loa Loa (eye worm) hypothetical protein 0.0066 0.1683 0.188
Echinococcus multilocularis voltage gated potassium channel 0.0051 0.1117 0.1983
Echinococcus granulosus dna polymerase eta 0.0054 0.1224 0.2186
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0543 0.082
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0066 0.1683 0.188
Entamoeba histolytica P-glycoprotein-2 0.0066 0.1683 0.3971
Leishmania major DNA polymerase eta, putative 0.0038 0.0616 0.1361
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0521 0.0334
Echinococcus granulosus multidrug resistance protein 1 0.0066 0.1683 0.3046
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0037 0.0565 0.0857
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.4145 0.4109
Loa Loa (eye worm) hypothetical protein 0.003 0.0331 0.0313
Echinococcus granulosus multidrug resistance protein 1 0.0066 0.1683 0.3046
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0066 0.1683 0.1632
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0051 0.1117 0.1983
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0148 0.4793 0.4761
Schistosoma mansoni 60S ribosomal protein L21 0.003 0.0323 0.0446
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.1224 0.1349
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0066 0.1683 0.3046
Loa Loa (eye worm) multidrug resistance protein 3 0.0066 0.1683 0.188
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1456 0.1618
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0037 0.0565 0.0946
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.4145 1
Schistosoma mansoni multidrug resistance protein 0.0066 0.1683 0.276
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1456 0.1618
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0066 0.1683 0.3046
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0543 0.082
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.4145 0.4735
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0066 0.1683 0.1632
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0065 0.1655 0.2995
Plasmodium falciparum multidrug resistance protein 1 0.0066 0.1683 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0066 0.1683 0.3046
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0521 0.1126
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0521 0.0334
Echinococcus granulosus sodium channel protein 0.0091 0.2612 0.4792
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.4145 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0066 0.1683 1
Trichomonas vaginalis ABC transporter, putative 0.0066 0.1683 0.1632
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0066 0.1683 0.1632
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0037 0.0565 0.0584
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.4145 0.6951
Echinococcus granulosus hyperpolarization activated cyclic 0.0037 0.0565 0.0946
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0066 0.1683 0.1632
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.4145 1
Trichomonas vaginalis abcb9, putative 0.0066 0.1683 0.1632
Echinococcus multilocularis multidrug resistance protein 1 0.0046 0.0927 0.1626
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0091 0.2612 0.4792
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.4145 0.5
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.4145 1
Entamoeba histolytica P-glycoprotein-1 0.0066 0.1683 0.3971
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0037 0.0565 0.0857
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0037 0.0565 0.0946
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0543 0.0906
Echinococcus granulosus multidrug resistance protein 1 0.0046 0.0927 0.1626
Echinococcus granulosus voltage gated potassium channel 0.0051 0.1117 0.1983
Leishmania major DNA polymerase eta, putative 0.0054 0.1224 0.2849
Loa Loa (eye worm) hypothetical protein 0.0181 0.602 0.6909
Trichomonas vaginalis abcb9, putative 0.0066 0.1683 0.1632
Entamoeba histolytica P-glycoprotein-2, putative 0.0066 0.1683 0.3971
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0066 0.1683 0.1632
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.1224 0.2849
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0066 0.1683 0.1632
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0066 0.1683 0.1632
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0521 0.0463
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0521 0.0463
Entamoeba histolytica P-glycoprotein 5, putative 0.0066 0.1683 0.3971
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0037 0.0565 0.0946
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0037 0.0565 0.0946
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0521 0.0463
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.4145 0.4109
Loa Loa (eye worm) hypothetical protein 0.0065 0.1655 0.1848
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0543 0.082
Loa Loa (eye worm) hypothetical protein 0.0054 0.1224 0.1349
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0521 0.1406
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0521 0.0463
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0066 0.1683 0.3046
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0066 0.1683 0.3046
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0051 0.1117 0.1224
Echinococcus multilocularis hyperpolarization activated cyclic 0.0037 0.0565 0.0946
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0066 0.1683 0.1632
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.4145 0.7671
Brugia malayi 6-phosphofructokinase 0.0132 0.4172 0.4766
Schistosoma mansoni voltage-gated potassium channel 0.0037 0.0565 0.0857
Schistosoma mansoni voltage-gated potassium channel 0.0051 0.1117 0.1797
Brugia malayi hypothetical protein 0.003 0.0331 0.0313
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.4145 0.4109
Schistosoma mansoni voltage-gated potassium channel 0.0179 0.5936 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0521 0.0463
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0066 0.1683 0.2376
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0066 0.1683 0.1632
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.4145 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0181 0.602 0.6909
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0091 0.2612 0.6246
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0066 0.1683 0.1632
Brugia malayi Pre-SET motif family protein 0.0251 0.8687 1
Brugia malayi phosphofructokinase 0.0131 0.4145 0.4735
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.4145 0.7671
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0066 0.1683 0.1632
Echinococcus multilocularis sodium channel protein 0.0091 0.2612 0.4792
Entamoeba histolytica P-glyco protein 6, putative 0.0066 0.1683 0.3971
Echinococcus multilocularis hyperpolarization activated cyclic 0.0037 0.0565 0.0946
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.4145 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.0565 0.0507
Trichomonas vaginalis abcb9, putative 0.0066 0.1683 0.1632
Leishmania major hypothetical protein, conserved 0.003 0.0331 0.0661
Echinococcus multilocularis ATP binding cassette sub family B 0.0065 0.1655 0.2995
Loa Loa (eye worm) hypothetical protein 0.0037 0.0565 0.0584
Toxoplasma gondii hypothetical protein 0.0181 0.602 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8687 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0061 0.0147
Entamoeba histolytica P-glycoprotein-5 0.0066 0.1683 0.3971
Loa Loa (eye worm) hypothetical protein 0.0181 0.602 0.6909
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.0565 0.0507
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0148 0.4793 0.4761
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0037 0.0565 0.0857
Loa Loa (eye worm) hypothetical protein 0.0051 0.1117 0.1224
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1456 0.1618
Schistosoma mansoni voltage-gated potassium channel 0.0179 0.5936 1
Schistosoma mansoni multidrug resistance protein 0.0066 0.1683 0.276

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 30.76 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 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) 7.5686 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (binding) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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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