Detailed information for compound 1329321

Basic information

Technical information
  • TDR Targets ID: 1329321
  • Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,6-tr imethyl-1-benzofuran-2-yl)methanone
  • MW: 378.464 | Formula: C23H26N2O3
  • H donors: 0 H acceptors: 1 LogP: 4.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)C(=O)c1oc2c(c1C)c(C)cc(c2)C
  • InChi: 1S/C23H26N2O3/c1-15-13-16(2)21-17(3)22(28-20(21)14-15)23(26)25-11-9-24(10-12-25)18-7-5-6-8-19(18)27-4/h5-8,13-14H,9-12H2,1-4H3
  • InChiKey: YHHCKDRRVYAGKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,6-trimethylbenzofuran-2-yl)methanone
  • [4-(2-methoxyphenyl)-1-piperazinyl]-(3,4,6-trimethyl-2-benzofuranyl)methanone
  • ZINC00634098
  • MLS000547118
  • AR-318/42873355
  • SMR000115808
  • methyl 2-{4-[(3,4,6-trimethyl-1-benzofuran-2-yl)carbonyl]-1-piperazinyl}phenyl ether

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0073 0.0013
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0188 0.0215
Loa Loa (eye worm) hypothetical protein 0.0037 0.0123 0.0178
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0041 0.0039
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0002 0.0001
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0123 0.012
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0041 0.0039
Onchocerca volvulus 0.01 0.0419 0.0489
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0609 0.2815 0.4088
Mycobacterium leprae Probable lipase LipE 0.0037 0.0123 0.2057
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0123 0.0179
Schistosoma mansoni hypothetical protein 0.0073 0.0292 0.0291
Loa Loa (eye worm) intermediate filament protein 0.0033 0.01 0.0144
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0123 0.012
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1473 0.6885 1
Brugia malayi Pre-SET motif family protein 0.0432 0.1981 0.2877
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0041 0.0105
Mycobacterium leprae conserved hypothetical protein 0.0028 0.0079 0.0253
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0079 0.0056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0613 0.0612
Loa Loa (eye worm) beta-lactamase 0.0037 0.0123 0.0178
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0123 0.0121
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.025 0.0363
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.0315 1
Echinococcus granulosus lamin 0.0033 0.01 0.0099
Mycobacterium ulcerans hypothetical protein 0.0037 0.0123 0.012
Echinococcus multilocularis GPCR, family 2 0.0176 0.0778 0.0777
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4558 0.4558
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1473 0.6885 1
Echinococcus granulosus cpg binding protein 0.0031 0.0095 0.0094
Schistosoma mansoni intermediate filament proteins 0.0033 0.01 0.0098
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0041 0.0105
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0079 0.0035
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0123 0.0178
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.1074 0.151
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0188 0.4744
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.002 0.002
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0292 0.0291
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0315 1
Brugia malayi beta-lactamase family protein 0.0037 0.0123 0.0179
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0041 0.0105
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0609 0.2815 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0419 0.0418
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0315 0.0892
Echinococcus multilocularis microtubule associated protein 2 0.2135 1 1
Brugia malayi Probable ClpP-like protease 0.0078 0.0315 0.0457
Loa Loa (eye worm) hypothetical protein 0.0033 0.01 0.0144
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0087 0.0125
Brugia malayi Pre-SET motif family protein 0.0063 0.0241 0.035
Schistosoma mansoni tar DNA-binding protein 0.0064 0.025 0.0248
Brugia malayi intermediate filament protein 0.0033 0.01 0.0145
Onchocerca volvulus 0.0033 0.01 0.0019
Echinococcus granulosus lamin dm0 0.0033 0.01 0.0099
Echinococcus multilocularis musashi 0.0033 0.01 0.0099
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0227 0.0227
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0609 0.2815 0.2814
Onchocerca volvulus 0.0037 0.0123 0.0053
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1473 0.6885 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0176 0.0778 0.0777
Schistosoma mansoni tar DNA-binding protein 0.0064 0.025 0.0248
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0041 0.0105
Onchocerca volvulus 0.1473 0.6885 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.1473 0.6885 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.0613 0.0613
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.0315 0.0314
Schistosoma mansoni glutaminase 0.0283 0.1281 0.1279
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0123 0.0193
Loa Loa (eye worm) hypothetical protein 0.0078 0.0315 0.0456
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0123 0.0122
Loa Loa (eye worm) hypothetical protein 0.01 0.0419 0.0608
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.1473 0.6885 1
Entamoeba histolytica hypothetical protein 0.0073 0.0292 0.0367
Loa Loa (eye worm) TAR-binding protein 0.0064 0.025 0.0363
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0029 0.0041
Trichomonas vaginalis esterase, putative 0.0037 0.0123 0.012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0241 0.0239
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0041 0.0105
Leishmania major hypothetical protein, conserved 0.0026 0.007 0.0104
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0041 0.004
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.0315 0.0314
Echinococcus granulosus tar DNA binding protein 0.0064 0.025 0.025
Echinococcus granulosus dnaJ subfamily B 0.0424 0.1943 0.1942
Echinococcus multilocularis tar DNA binding protein 0.0064 0.025 0.025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0613 0.0612
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0558 0.2573 0.3737
Mycobacterium ulcerans glutaminase 0.0283 0.1281 0.1811
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0609 0.2815 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0241 0.0239
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0176 0.0778 0.0777
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.025 0.0363
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0223 0.0557
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1473 0.6885 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0123 0.012
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0609 0.2815 0.4088
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0041 0.0105
Loa Loa (eye worm) latrophilin receptor protein 2 0.0176 0.0778 0.1129
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0123 0.0121
Onchocerca volvulus 0.0037 0.0123 0.0053
Echinococcus multilocularis dnaJ subfamily B 0.0424 0.1943 0.1942
Loa Loa (eye worm) hypothetical protein 0.0037 0.0123 0.0178
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0123 0.012
Brugia malayi beta-lactamase family protein 0.0037 0.0123 0.0179
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0079 0.0242
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1473 0.6885 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0123 0.012
Loa Loa (eye worm) hypothetical protein 0.0148 0.0643 0.0933
Loa Loa (eye worm) RNA binding protein 0.0064 0.025 0.0363
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0609 0.2815 0.4088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0558 0.2573 0.3737
Brugia malayi TAR-binding protein 0.0064 0.025 0.0363
Loa Loa (eye worm) hypothetical protein 0.0381 0.1742 0.253
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0609 0.2815 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0123 0.012
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0254 0.0253
Schistosoma mansoni hypothetical protein 0.0176 0.0778 0.0776
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0609 0.2815 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0041 0.0105
Schistosoma mansoni DNA polymerase eta 0.002 0.0041 0.0039
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0241 0.0239
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0625 0.0908
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0315 0.0892
Echinococcus granulosus geminin 0.0706 0.3272 0.3272
Brugia malayi hypothetical protein 0.0073 0.0292 0.0425
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0241 0.024
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0041 0.006
Mycobacterium ulcerans beta-lactamase 0.0037 0.0123 0.012
Leishmania major hypothetical protein, conserved 0.0037 0.0123 0.0296
Schistosoma mansoni tar DNA-binding protein 0.0064 0.025 0.0248
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.0315 0.0892
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0315 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0419 0.0609
Echinococcus multilocularis lamin 0.0033 0.01 0.0099
Schistosoma mansoni lamin 0.0033 0.01 0.0098
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0123 0.012
Trichomonas vaginalis set domain proteins, putative 0.0492 0.2262 0.3245
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0123 0.012
Brugia malayi hypothetical protein 0.0026 0.007 0.0102
Schistosoma mansoni cpg binding protein 0.0031 0.0095 0.0093
Loa Loa (eye worm) hypothetical protein 0.0032 0.0097 0.014
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.0613 0.0613
Schistosoma mansoni hypothetical protein 0.0176 0.0778 0.0776
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0609 0.2815 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0123 0.0178
Loa Loa (eye worm) hypothetical protein 0.0148 0.0643 0.0933
Loa Loa (eye worm) hypothetical protein 0.0063 0.0241 0.0349
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0079 0.0056
Loa Loa (eye worm) hypothetical protein 0.0037 0.0123 0.0178
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0079 0.0253
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0041 0.0105
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0073 0.0013
Entamoeba histolytica hypothetical protein 0.0073 0.0292 0.0367
Echinococcus multilocularis cpg binding protein 0.0031 0.0095 0.0094
Entamoeba histolytica hypothetical protein 0.0073 0.0292 0.0367
Brugia malayi latrophilin 2 splice variant baaae 0.0381 0.1742 0.253
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1473 0.6885 1
Schistosoma mansoni hypothetical protein 0.0424 0.1943 0.1941
Schistosoma mansoni hypothetical protein 0.0176 0.0778 0.0776
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0609 0.2815 0.4088
Brugia malayi Latrophilin receptor protein 2 0.0176 0.0778 0.1129
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0419 0.0419
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0041 0.0059
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0041 0.0105
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0123 0.012
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0123 0.2057
Schistosoma mansoni hypothetical protein 0.0706 0.3272 0.3271
Onchocerca volvulus Huntingtin homolog 0.0148 0.0643 0.0819
Schistosoma mansoni tar DNA-binding protein 0.0064 0.025 0.0248
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0625 0.0908
Brugia malayi hypothetical protein 0.0148 0.0643 0.0934
Loa Loa (eye worm) hypothetical protein 0.002 0.0041 0.0059
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0041 0.004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.0613 0.0613
Plasmodium vivax SET domain protein, putative 0.0063 0.0241 0.0623
Loa Loa (eye worm) hypothetical protein 0.0026 0.007 0.0101
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0123 0.012
Echinococcus granulosus GPCR family 2 0.0176 0.0778 0.0777
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0123 0.012
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0079 0.0139
Loa Loa (eye worm) hypothetical protein 0.0037 0.0123 0.0178
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0315 0.04
Schistosoma mansoni hypothetical protein 0.0706 0.3272 0.3271
Toxoplasma gondii ABC1 family protein 0.0037 0.0123 0.0193
Trichomonas vaginalis glutaminase, putative 0.0283 0.1281 0.1811
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.01 0.0144
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0079 0.0035
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0609 0.2815 0.2814
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.0315 0.0313
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0123 0.0122
Mycobacterium tuberculosis Conserved protein 0.0037 0.0123 0.012
Loa Loa (eye worm) hypothetical protein 0.0558 0.2573 0.3737
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0188 0.0187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.0613 0.0613
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0123 0.012
Onchocerca volvulus 0.0037 0.0123 0.0053
Schistosoma mansoni cpg binding protein 0.003 0.0087 0.0085
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0002 0.0001
Loa Loa (eye worm) hypothetical protein 0.0016 0.002 0.0029
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0609 0.2815 0.2814
Echinococcus multilocularis geminin 0.0706 0.3272 0.3272
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.007 0.0208
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0241 0.0239
Onchocerca volvulus 0.0033 0.01 0.0019
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0123 0.012
Schistosoma mansoni tar DNA-binding protein 0.0064 0.025 0.0248
Schistosoma mansoni microtubule-associated protein tau 0.2135 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0041 0.0105
Entamoeba histolytica hypothetical protein 0.0028 0.0079 0.0056
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0292 0.0292
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0041 0.006
Loa Loa (eye worm) glutaminase 0.0283 0.1281 0.1859
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0241 0.024
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0079 0.0056
Echinococcus multilocularis lamin dm0 0.0033 0.01 0.0099
Echinococcus multilocularis dna polymerase kappa 0.002 0.0041 0.004
Schistosoma mansoni hypothetical protein 0.0381 0.1742 0.1741
Echinococcus granulosus dna polymerase eta 0.002 0.0041 0.004
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0292 0.0292
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0241 0.0623
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.1473 0.6885 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0613 0.0612
Loa Loa (eye worm) hypothetical protein 0.0015 0.0018 0.0025
Schistosoma mansoni hypothetical protein 0.0176 0.0778 0.0776
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0188 0.0187
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0041 0.0105
Brugia malayi MH2 domain containing protein 0.0144 0.0625 0.0908
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0609 0.2815 1
Schistosoma mansoni cpg binding protein 0.0031 0.0095 0.0093
Brugia malayi RNA binding protein 0.0064 0.025 0.0363
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.0315 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0123 0.012
Loa Loa (eye worm) hypothetical protein 0.0176 0.0778 0.1129
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0315 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0041 0.0105
Brugia malayi hypothetical protein 0.0017 0.0026 0.0038
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0123 0.012
Brugia malayi CXXC zinc finger family protein 0.003 0.0087 0.0126
Loa Loa (eye worm) glutaminase 2 0.0283 0.1281 0.1859
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0123 0.012
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0315 0.04
Loa Loa (eye worm) hypothetical protein 0.0015 0.0018 0.0025
Toxoplasma gondii hypothetical protein 0.0027 0.0073 0.0013
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0432 0.1981 0.2877
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0029 0.0042
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.1473 0.6885 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0123 0.0296
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0188 0.0215
Onchocerca volvulus Huntingtin homolog 0.0148 0.0643 0.0819
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0609 0.2815 1
Brugia malayi beta-lactamase 0.0037 0.0123 0.0179
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0176 0.0778 0.0777
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0609 0.2815 0.4053
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0123 0.0296
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0176 0.0778 0.1129
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1473 0.6885 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0142 0.0613 0.0891
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0079 0.0035
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0609 0.2815 0.4053
Schistosoma mansoni lamin 0.0033 0.01 0.0098
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0315 0.0892
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0176 0.0778 0.0777
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0142 0.0613 0.089
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0123 0.0397
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.002 0.002
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.007 0.0104
Brugia malayi glutaminase DH11.1 0.0283 0.1281 0.186
Mycobacterium ulcerans lipase LipD 0.0037 0.0123 0.012
Trypanosoma brucei unspecified product 0.002 0.0041 0.0105
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0079 0.0035
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1473 0.6885 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0609 0.2815 0.4053
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0419 0.0419
Onchocerca volvulus 0.0063 0.0241 0.0227
Onchocerca volvulus 0.0492 0.2262 0.3199
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.01 0.0145
Entamoeba histolytica hypothetical protein 0.0073 0.0292 0.0367
Brugia malayi Calcitonin receptor-like protein seb-1 0.0558 0.2573 0.3737
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0041 0.0105
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0241 0.024
Echinococcus granulosus dna polymerase kappa 0.002 0.0041 0.004
Echinococcus granulosus intermediate filament protein 0.0033 0.01 0.0099
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1473 0.6885 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0123 0.0178
Echinococcus multilocularis dna polymerase eta 0.002 0.0041 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0041 0.0105
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.007 0.0104

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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 Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 46.945 um PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) [Related pubchem assays: 1490 (qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)), 1819 (Probe Development Summary of Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase))] 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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