Detailed information for compound 1273870

Basic information

Technical information
  • TDR Targets ID: 1273870
  • Name: (1-methylbenzimidazol-2-yl)methyl-[4-[4-(4-me thylphenyl)piperazin-1-yl]phenyl]amine
  • MW: 411.542 | Formula: C26H29N5
  • H donors: 1 H acceptors: 1 LogP: 5.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)NCc1nc2c(n1C)cccc2
  • InChi: 1S/C26H29N5/c1-20-7-11-22(12-8-20)30-15-17-31(18-16-30)23-13-9-21(10-14-23)27-19-26-28-24-5-3-4-6-25(24)29(26)2/h3-14,27H,15-19H2,1-2H3
  • InChiKey: CTOZSVYWKWJEJU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • AQ-360/43172781
  • MLS000702121
  • N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(4-methylphenyl)piperazin-1-yl]aniline
  • N-[(1-methyl-2-benzimidazolyl)methyl]-4-[4-(4-methylphenyl)-1-piperazinyl]aniline
  • N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-N-{4-[4-(4-methylphenyl)-1-piperazinyl]phenyl}amine
  • SMR000230166
  • ZINC04649810

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Caenorhabditis elegans Protein GLD-1 Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) Protein Rev Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei hypothetical protein Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) tumor suppressor Get druggable targets OG5_170288 All targets in OG5_170288
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi calpain cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei gambiense calpain-like cysteine peptidase, putative,antigen, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Leishmania infantum calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum calpain-like cysteine peptidase Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense calpain, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus lamin dm0 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
Trypanosoma brucei variant surface glycoprotein (VSG), putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma brucei gambiense calpain-like protein, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma brucei calpain, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis cytoplasmic 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
Trypanosoma congolense cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi tumor suppressor. Get druggable targets OG5_170288 All targets in OG5_170288
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like protein, putative Get druggable targets OG5_130635 All targets in OG5_130635
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
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 %
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Leishmania infantum hypothetical protein, conserved Protein Rev   116 aa 95 aa 26.3 %
Leishmania donovani hypothetical protein, conserved Protein Rev   116 aa 95 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni transient receptor potential channel 0.0078 0.0692 0.0666
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0435 0.0408
Loa Loa (eye worm) hypothetical protein 0.003 0.0112 0.0177
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.216 0.3302
Brugia malayi hypothetical protein 0.003 0.0112 0.0007
Loa Loa (eye worm) hypothetical protein 0.0085 0.0789 0.1248
Brugia malayi intermediate filament protein 0.0033 0.0138 0.0049
Loa Loa (eye worm) hypothetical protein 0.0074 0.0644 0.1018
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1402 1
Onchocerca volvulus 0.0182 0.1985 0.2984
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.0692 0.0666
Echinococcus granulosus intermediate filament protein 0.0033 0.0138 0.011
Brugia malayi hypothetical protein 0.0182 0.1985 0.3019
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.064 0.1012
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0275 0.0269
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0073 0.0044
Brugia malayi Pre-SET motif family protein 0.0251 0.2832 0.4383
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0612 0.0585
Loa Loa (eye worm) hypothetical protein 0.0033 0.0138 0.0219
Echinococcus multilocularis geminin 0.0205 0.2257 0.2235
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0275 0.0247
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1402 1
Schistosoma mansoni hypothetical protein 0.0033 0.0142 0.0114
Schistosoma mansoni survival motor neuron protein 0.0058 0.0455 0.0427
Schistosoma mansoni transient receptor potential channel 0.0078 0.0692 0.0666
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0181 0.0153
Loa Loa (eye worm) hypothetical protein 0.0033 0.0142 0.0225
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0135 0.1402 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0625 0.0598
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1402 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0308 0.0487
Schistosoma mansoni lamin 0.0033 0.0138 0.011
Schistosoma mansoni alpha-glucosidase 0.0169 0.1823 0.18
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0112 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0435 0.0408
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1402 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.3254 0.5145
Schistosoma mansoni hypothetical protein 0.0205 0.2257 0.2235
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.1181 0.1156
Schistosoma mansoni lozenge 0.0067 0.0564 0.0537
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.1181 0.1156
Schistosoma mansoni lamin 0.0033 0.0138 0.011
Echinococcus granulosus lamin 0.0033 0.0138 0.011
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0272 0.0244
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0112 0.5
Onchocerca volvulus Huntingtin homolog 0.0148 0.1559 0.2297
Trypanosoma brucei glucosidase, putative 0.0044 0.0275 0.1263
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0275 0.1263
Schistosoma mansoni intermediate filament proteins 0.0033 0.0138 0.011
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.216 0.2138
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0135 0.1402 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.6324 1
Brugia malayi hypothetical protein 0.0535 0.6324 1
Trypanosoma brucei calpain, putative 0.0135 0.1402 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0138 0.0049
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.064 0.0614
Brugia malayi Pre-SET motif family protein 0.0036 0.0181 0.0118
Brugia malayi hypothetical protein 0.0286 0.3254 0.5061
Echinococcus multilocularis lamin dm0 0.0033 0.0138 0.011
Echinococcus granulosus protein quaking 0.0033 0.0142 0.0114
Loa Loa (eye worm) hypothetical protein 0.0182 0.1985 0.3138
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1402 1
Echinococcus granulosus hypothetical protein 0.0033 0.0142 0.0114
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0073 0.0044
Brugia malayi tumor suppressor. 0.0388 0.452 0.7097
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1402 1
Schistosoma mansoni hypothetical protein 0.0058 0.0455 0.0427
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.0692 0.0666
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.216 0.3416
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0274 0.0246
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0275 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0142 0.0114
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.216 0.2138
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0275 0.1263
Echinococcus multilocularis lamin 0.0033 0.0138 0.011
Onchocerca volvulus 0.0114 0.1139 0.1617
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0275 0.1263
Echinococcus granulosus geminin 0.0205 0.2257 0.2235
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0138 0.0219
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.1133 0.1107
Onchocerca volvulus 0.0286 0.326 0.5046
Loa Loa (eye worm) hypothetical protein 0.0148 0.1559 0.2465
Onchocerca volvulus 0.0535 0.6324 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1402 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1402 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0455 0.0558
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0612 0.0585
Loa Loa (eye worm) hypothetical protein 0.0535 0.6324 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0226 0.0357
Loa Loa (eye worm) hypothetical protein 0.0148 0.1559 0.2465
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0435 0.0408
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.0692 0.0666
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0073 0.0044
Schistosoma mansoni alpha-glucosidase 0.0169 0.1823 0.18
Loa Loa (eye worm) hypothetical protein 0.0049 0.0343 0.0543
Loa Loa (eye worm) hypothetical protein 0.0052 0.0372 0.0587
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0165 0.0137
Schistosoma mansoni hypothetical protein 0.0025 0.0044 0.0016
Onchocerca volvulus Huntingtin homolog 0.0148 0.1559 0.2297
Trichomonas vaginalis set domain proteins, putative 0.0286 0.326 1
Schistosoma mansoni transient receptor potential channel 0.0117 0.1181 0.1156
Echinococcus granulosus lamin dm0 0.0033 0.0138 0.011
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1402 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.0692 0.0666
Brugia malayi Bromodomain containing protein 0.0046 0.0307 0.032
Brugia malayi Bromodomain containing protein 0.0091 0.0853 0.1198
Plasmodium vivax SET domain protein, putative 0.0036 0.0181 1
Onchocerca volvulus 0.0058 0.0455 0.0511
Loa Loa (eye worm) hypothetical protein 0.0032 0.0131 0.0207
Loa Loa (eye worm) hypothetical protein 0.0057 0.0435 0.0688
Schistosoma mansoni alpha glucosidase 0.0044 0.0275 0.0247
Brugia malayi Temporarily assigned gene name protein 44 0.0033 0.0142 0.0055
Loa Loa (eye worm) runx1 0.0067 0.0564 0.0891
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3254 0.3235
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0181 0.0153
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1402 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0435 0.0408
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0181 0.4244
Echinococcus multilocularis Protein lozenge 0.0067 0.0564 0.0537
Loa Loa (eye worm) tumor suppressor 0.0388 0.452 0.7147
Brugia malayi jmjC domain containing protein 0.0071 0.0612 0.0811
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1402 1
Trypanosoma brucei calpain-like protein, putative 0.0135 0.1402 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0612 0.0585
Echinococcus multilocularis protein quaking 0.0033 0.0142 0.0114
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.216 0.2138
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.064 0.0614
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1402 1
Brugia malayi jmjC domain containing protein 0.0073 0.064 0.0857
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0274 0.0246
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0272 0.0244
Schistosoma mansoni bromodomain containing protein 0.0076 0.0678 0.0652
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0625 0.0598
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.064 0.0614
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3254 0.3235
Brugia malayi hypothetical protein 0.0148 0.1559 0.2335
Trypanosoma brucei hypothetical protein 0.0135 0.1402 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0181 0.0153
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0275 0.0435
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0612 0.0585
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.1133 0.1107
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0275 0.0247
Brugia malayi hypothetical protein 0.0033 0.0142 0.0055
Loa Loa (eye worm) hypothetical protein 0.0044 0.0274 0.0433
Echinococcus multilocularis musashi 0.0033 0.0138 0.011
Onchocerca volvulus 0.0036 0.0181 0.0069
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0274 0.0268
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1402 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2832 0.4479
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0138 0.0219
Loa Loa (eye worm) hypothetical protein 0.0117 0.1181 0.1867
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.1181 0.1156
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0275 1
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0044 0.007
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0275 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.2257 0.2235

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 1.0587 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that activate transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2237, AID2259] ChEMBL. No reference
IC50 (binding) > 2.208 uM PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of GLD-1 protein - TGE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2280, AID2290, AID2459] ChEMBL. No reference
IC50 (binding) = 19.597 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the HIV Rev protein-RRE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2290 (Summary (gld-1 inhibitors)), 2280 (Primary screen (gld-1 inhibitors in singlicate))] ChEMBL. No reference
IC50 (functional) 75.631 uM PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399] ChEMBL. No reference
Potency (functional) = 0.02 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.0596 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 (binding) = 2.5119 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) = 3.1623 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 (functional) = 5.0119 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 5.2213 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) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (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 Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (binding) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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) 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 (functional) = 39.8107 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.