Detailed information for compound 1306644

Basic information

Technical information
  • TDR Targets ID: 1306644
  • Name: 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2 -methylphenyl)-1-(3-morpholin-4-ylpropyl)thio urea
  • MW: 467.624 | Formula: C26H33N3O3S
  • H donors: 0 H acceptors: 0 LogP: 4.84 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1oc(c2)C(N(C(=Nc1ccccc1C)S)CCCN1CCOCC1)C
  • InChi: 1S/C26H33N3O3S/c1-19-8-4-5-10-22(19)27-26(33)29(13-7-12-28-14-16-31-17-15-28)20(2)24-18-21-9-6-11-23(30-3)25(21)32-24/h4-6,8-11,18,20H,7,12-17H2,1-3H3,(H,27,33)
  • InChiKey: AHPJWHBNUOESKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[1-(7-methoxybenzofuran-2-yl)ethyl]-3-(2-methylphenyl)-1-(3-morpholinopropyl)thiourea
  • 1-[1-(7-methoxy-2-benzofuranyl)ethyl]-3-(2-methylphenyl)-1-(3-morpholinopropyl)thiourea
  • MLS000683613
  • N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)thiourea
  • SMR000311770

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major pyruvate kinase 0.004 0.0877 0.127
Trypanosoma brucei DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0946 0.1507
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.1455 0.2241
Schistosoma mansoni aldehyde dehydrogenase 0.0194 0.6275 0.6275
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0838 0.9435
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3886 0.3886
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0638 0.0638
Trypanosoma brucei DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0148 0.4672 0.7444
Trypanosoma brucei DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Brugia malayi Bromodomain containing protein 0.0092 0.2686 0.2686
Brugia malayi TAR-binding protein 0.0126 0.3886 0.3886
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1167 0.1167
Brugia malayi PHD-finger family protein 0.0033 0.0615 0.0615
Schistosoma mansoni terminal deoxycytidyl transferase 0.0082 0.2353 0.2353
Loa Loa (eye worm) hypothetical protein 0.0028 0.0448 0.0448
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0245 0.8066 0.8066
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.1455 0.2241
Loa Loa (eye worm) RNA binding protein 0.0126 0.3886 0.3886
Echinococcus granulosus zinc finger protein 0.0027 0.0394 0.0629
Trypanosoma brucei pyruvate kinase 1 0.004 0.0877 0.1291
Trichomonas vaginalis DNA polymerase eta, putative 0.0082 0.2353 0.1856
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0946 0.1507
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.061 0.0852
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.282 0.4494
Echinococcus granulosus geminin 0.0165 0.5265 0.839
Trypanosoma cruzi DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Mycobacterium ulcerans DNA polymerase IV 0.0082 0.2353 0.207
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0694 0.1106
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0694 0.0694
Echinococcus multilocularis expressed protein 0.0033 0.0638 0.1017
Trypanosoma brucei DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Brugia malayi ImpB/MucB/SamB family protein 0.0082 0.2353 0.2353
Plasmodium vivax SET domain protein, putative 0.0035 0.0694 0.5798
Leishmania major DNA damage repair protein, putative 0.0026 0.0358 0.0429
Loa Loa (eye worm) bromodomain containing protein 0.0024 0.0315 0.0315
Chlamydia trachomatis pyruvate kinase 0.004 0.0877 0.5
Echinococcus multilocularis pyruvate kinase 0.0032 0.0579 0.0922
Trypanosoma brucei chrX additional, unordered contigs 0.0026 0.0358 0.0437
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0165 0.0165
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.3886 0.3886
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3886 0.3886
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.282 0.4494
Echinococcus granulosus tar DNA binding protein 0.0126 0.3886 0.6192
Brugia malayi acetyltransferase, GNAT family protein 0.0148 0.4672 0.4672
Trypanosoma brucei DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Brugia malayi glutaminase DH11.1 0.03 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.282 0.4494
Leishmania major pyruvate kinase 0.004 0.0877 0.127
Echinococcus granulosus pyruvate kinase 0.0021 0.0187 0.0298
Echinococcus granulosus pyruvate kinase 0.004 0.0877 0.1398
Trichomonas vaginalis glutaminase, putative 0.03 1 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0838 0.2047
Loa Loa (eye worm) hypothetical protein 0.0051 0.127 0.127
Trypanosoma brucei DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Trypanosoma brucei DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0134 0.4177 0.6554
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0877 0.1291
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0194 0.6275 1
Toxoplasma gondii aldehyde dehydrogenase 0.0194 0.6275 1
Loa Loa (eye worm) TAR-binding protein 0.0126 0.3886 0.3886
Trypanosoma brucei unspecified product 0.0057 0.1455 0.2241
Loa Loa (eye worm) hypothetical protein 0.0045 0.1046 0.1046
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0082 0.2353 0.375
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.1061 0.1436
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.1061 0.048
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0877 0.0284
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.282 0.282
Trichomonas vaginalis set domain proteins, putative 0.0278 0.9255 0.9207
Schistosoma mansoni hypothetical protein 0.0165 0.5265 0.5265
Loa Loa (eye worm) glutaminase 0.03 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1349 0.1349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.1399 0.1399
Trypanosoma brucei unspecified product 0.0057 0.1455 0.2241
Schistosoma mansoni aldehyde dehydrogenase 0.0194 0.6275 0.6275
Trypanosoma cruzi DNA polymerase eta, putative 0.0134 0.4177 0.6718
Echinococcus multilocularis pyruvate kinase 0.004 0.0877 0.1398
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.1061 0.1436
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3886 0.3886
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0694 0.0833
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.282 0.4494
Echinococcus multilocularis tar DNA binding protein 0.0126 0.3886 0.6192
Trypanosoma cruzi DNA polymerase eta, putative 0.0191 0.6173 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0082 0.2353 0.2734
Mycobacterium ulcerans aldehyde dehydrogenase 0.0194 0.6275 0.6137
Giardia lamblia Pyruvate kinase 0.004 0.0877 0.3186
Schistosoma mansoni DNA polymerase eta 0.0191 0.6173 0.6173
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0148 0.4672 0.4672
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0877 0.0877
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0649 0.1034
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0194 0.6275 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0638 0.0638
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0877 0.5
Brugia malayi Bromodomain containing protein 0.0049 0.1169 0.1169
Trypanosoma cruzi DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.0165 0.0263
Echinococcus granulosus histone lysine methyltransferase setb 0.0055 0.1399 0.223
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.0165 0.0263
Schistosoma mansoni glutaminase 0.03 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1167 0.1167
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0358 0.0437
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0877 0.0284
Brugia malayi Pre-SET motif family protein 0.0035 0.0694 0.0694
Schistosoma mansoni pyruvate kinase 0.0021 0.0187 0.0187
Echinococcus multilocularis pyruvate kinase 0.004 0.0877 0.1398
Giardia lamblia DINP protein human, muc B family 0.0082 0.2353 1
Schistosoma mansoni hypothetical protein 0.0165 0.5265 0.5265
Loa Loa (eye worm) hypothetical protein 0.004 0.0877 0.0877
Plasmodium vivax pyruvate kinase, putative 0.004 0.0877 0.7893
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0082 0.2353 0.2734
Plasmodium vivax DNA repair protein REV1, putative 0.0026 0.0358 0.195
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0694 0.0694
Mycobacterium ulcerans aldehyde dehydrogenase 0.0194 0.6275 0.6137
Schistosoma mansoni pyruvate kinase 0.004 0.0877 0.0877
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.061 0.0851
Trypanosoma brucei DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0877 0.0214
Trypanosoma brucei DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0358 0.0437
Loa Loa (eye worm) pyruvate kinase 0.004 0.0877 0.0877
Leishmania major DNA polymerase eta, putative 0.0191 0.6173 0.9834
Brugia malayi ImpB/MucB/SamB family protein 0.0191 0.6173 0.6173
Brugia malayi polk-prov protein 0.0026 0.0358 0.0358
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0358 0.0437
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0358 0.0437
Echinococcus multilocularis dna polymerase eta 0.0191 0.6173 0.9836
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0877 0.0877
Loa Loa (eye worm) pyruvate kinase 0.004 0.0877 0.0877
Trypanosoma cruzi DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Trypanosoma cruzi DNA damage repair protein, putative 0.0026 0.0358 0.0437
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0448 0.0448
Leishmania major DNA polymerase eta, putative 0.0134 0.4177 0.6606
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.2054 0.3273
Echinococcus multilocularis pyruvate kinase 0.0021 0.0187 0.0298
Schistosoma mansoni bromodomain containing protein 0.0078 0.2202 0.2202
Trypanosoma brucei DNA polymerase IV, putative 0.0082 0.2353 0.3718
Mycobacterium ulcerans pyruvate kinase 0.004 0.0877 0.0539
Schistosoma mansoni pyruvate kinase 0.004 0.0877 0.0877
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0358 0.0437
Loa Loa (eye worm) hypothetical protein 0.0083 0.2384 0.2384
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0877 0.0214
Schistosoma mansoni zinc finger protein 0.0027 0.0394 0.0394
Giardia lamblia DNA damage repair protein 0.0026 0.0358 0.0787
Schistosoma mansoni hypothetical protein 0.0024 0.0313 0.0313
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0165 0.0165
Trypanosoma brucei unspecified product 0.0082 0.2353 0.3718
Leishmania major DNA polymerase kappa, putative 0.0082 0.2353 0.3657
Echinococcus granulosus pyruvate kinase 0.004 0.0877 0.1398
Loa Loa (eye worm) hypothetical protein 0.0033 0.0627 0.0627
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0313 0.0313
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0358 0.0437
Loa Loa (eye worm) hypothetical protein 0.0191 0.6173 0.6173
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0877 0.1133
Mycobacterium ulcerans aldehyde dehydrogenase 0.0194 0.6275 0.6137
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.061 0.0695
Echinococcus granulosus dna polymerase eta 0.0191 0.6173 0.9836
Loa Loa (eye worm) pyruvate kinase 0.004 0.0877 0.0877
Schistosoma mansoni rotamase 0.0033 0.0638 0.0638
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.1061 1
Trypanosoma brucei DNA polymerase IV, putative 0.0082 0.2353 0.3718
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0638 0.003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.282 0.282
Brugia malayi Pre-SET motif family protein 0.0245 0.8066 0.8066
Leishmania major DNA polymerase kappa, putative 0.0026 0.0358 0.0429
Trypanosoma brucei DNA damage repair protein, putative 0.0026 0.0358 0.0437
Trypanosoma cruzi DNA damage repair protein, putative 0.0026 0.0358 0.0437
Loa Loa (eye worm) hypothetical protein 0.0049 0.1167 0.1167
Mycobacterium ulcerans glutaminase 0.03 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.1455 0.2241
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0082 0.2353 0.1856
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1167 0.1167
Schistosoma mansoni zinc finger protein 0.0018 0.0092 0.0092
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0082 0.2353 0.375
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0392 0.0624
Echinococcus granulosus pyruvate kinase 0.0021 0.0187 0.0298
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0877 0.1291
Trypanosoma brucei DNA polymerase IV, putative 0.0082 0.2353 0.3718
Echinococcus granulosus dna polymerase kappa 0.0082 0.2353 0.375
Schistosoma mansoni hypothetical protein 0.0033 0.0627 0.0627
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.282 0.282
Onchocerca volvulus 0.0278 0.9255 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0082 0.2353 0.2353
Trypanosoma brucei DNA polymerase eta, putative 0.0191 0.6173 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.443 0.706
Plasmodium falciparum DNA repair protein REV1, putative 0.0026 0.0358 0.247
Trypanosoma cruzi DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.061 0.0838
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0838 0.3006
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0877 0.0214
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.061 0.0852
Trypanosoma brucei DNA damage repair protein, putative 0.0026 0.0358 0.0437
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0082 0.2353 0.3657
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.061 0.0852
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.282 0.282
Echinococcus granulosus expressed protein 0.0033 0.0638 0.1017
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.1061 0.1691
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0392 0.0392
Echinococcus multilocularis zinc finger protein 0.0027 0.0394 0.0629
Brugia malayi RNA binding protein 0.0126 0.3886 0.3886
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3886 0.3886
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0026 0.0358 0.028
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0055 0.1399 0.223
Echinococcus granulosus pyruvate kinase 0.0021 0.0187 0.0298
Loa Loa (eye worm) hypothetical protein 0.0026 0.0358 0.0358
Plasmodium falciparum pyruvate kinase 0.004 0.0877 1
Mycobacterium ulcerans DNA polymerase IV 0.0082 0.2353 0.207
Entamoeba histolytica deoxycytidyl transferase, putative 0.0082 0.2353 1
Echinococcus multilocularis pyruvate kinase 0.0021 0.0187 0.0298
Trichomonas vaginalis rotamase, putative 0.0033 0.0638 0.003
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.1061 0.048
Schistosoma mansoni hypothetical protein 0.0018 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.0055 0.1399 0.1399
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0877 0.1291
Schistosoma mansoni DNA polymerase IV / kappa 0.0026 0.0358 0.0358
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0082 0.2353 0.2353
Echinococcus multilocularis dna polymerase kappa 0.0082 0.2353 0.375
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.1399 0.1399
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.282 0.282
Loa Loa (eye worm) acetyltransferase 0.0148 0.4672 0.4672
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3886 0.3886
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.3886 0.3886
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0194 0.6275 1
Echinococcus multilocularis pyruvate kinase 0.0021 0.0187 0.0298
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0194 0.6275 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0082 0.2353 0.3718
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0627 0.0627
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0026 0.0358 0.028
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0392 0.0624
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.2054 0.3273
Echinococcus multilocularis geminin 0.0165 0.5265 0.839

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4716 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 44.6684 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 (functional) 70.7946 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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