Detailed information for compound 661225

Basic information

Technical information
  • TDR Targets ID: 661225
  • Name: 1-(3,5-dimethylphenyl)-3-[(4-fluorophenyl)met hyl]thiourea
  • MW: 288.383 | Formula: C16H17FN2S
  • H donors: 1 H acceptors: 0 LogP: 4.29 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CN=C(Nc1cc(C)cc(c1)C)S
  • InChi: 1S/C16H17FN2S/c1-11-7-12(2)9-15(8-11)19-16(20)18-10-13-3-5-14(17)6-4-13/h3-9H,10H2,1-2H3,(H2,18,19,20)
  • InChiKey: KRFARVYYEIJXSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3,5-dimethylphenyl)-3-(4-fluorobenzyl)thiourea
  • STK143286
  • ZINC04682529
  • MLS000665502
  • N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea
  • SMR000270757

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 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) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei glucose transporter, putative 0.003 0.1246 0.1124
Onchocerca volvulus 0.0014 0.0137 0.0102
Onchocerca volvulus 0.0014 0.0137 0.0102
Trichomonas vaginalis beta lactamase domain, putative 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.0792 0.0792
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.0161 1 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0137 0.0102
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0161 1 1
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0326 0.0192
Mycobacterium ulcerans hydrolase 0.0161 1 1
Brugia malayi Sugar transporter family protein 0.0014 0.0137 0.0102
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.0789 0.0789
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trypanosoma brucei glucose transporter, putative 0.003 0.1246 0.1124
Trypanosoma cruzi hexose transporter 0.003 0.1246 0.1124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.1706 0.1706
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0161 1 1
Echinococcus granulosus solute carrier family 22 0.0014 0.0137 0.0102
Trypanosoma brucei glucose transporter, putative 0.003 0.1246 0.1124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0195 0.0195
Schistosoma mansoni sugar transporter 0.0014 0.0137 0.0102
Brugia malayi major facilitator superfamily protein 0.0014 0.0137 0.0102
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0137 0.0102
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0098 0.5757 0.5741
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0161 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.1539 0.1421
Entamoeba histolytica metallo-beta-lactamase family protein 0.0161 1 1
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0014 0.0137 0.0102
Echinococcus granulosus General substrate transporter 0.0084 0.4837 0.4819
Echinococcus granulosus solute carrier family 22 0.0014 0.0137 0.0102
Onchocerca volvulus 0.0014 0.0137 0.0102
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.1539 0.1421
Trypanosoma brucei THT1 - hexose transporter, putative 0.003 0.1246 0.1124
Loa Loa (eye worm) phosphatidylinositol 3 0.0015 0.0195 0.016
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0137 0.0137
Leishmania major phosphatidylinositol 3-kinase, putative 0.0015 0.0195 0.0059
Schistosoma mansoni sugar transporter 0.0014 0.0137 0.0102
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trypanosoma cruzi hexose transporter, putative 0.003 0.1246 0.1124
Mycobacterium ulcerans Zn-dependent glyoxylase 0.0161 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0098 0.5757 0.5741
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2133 0.2133
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.1539 0.1421
Giardia lamblia GTOR 0.0043 0.2133 0.2023
Brugia malayi hypothetical protein 0.0014 0.0137 0.0102
Trichomonas vaginalis beta lactamase domain, putative 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.1536 0.1536
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Toxoplasma gondii facilitative glucose transporter GT1 0.0098 0.5757 0.5698
Schistosoma mansoni hypothetical protein 0.0019 0.0494 0.046
Echinococcus granulosus Sugar transporter ERD6 protein 0.0014 0.0137 0.0102
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1173 0.1173
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0161 1 1
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0161 1 1
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.0161 1 1
Echinococcus granulosus solute carrier family 22 0.0014 0.0137 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.003 0.1246 0.1246
Onchocerca volvulus 0.0014 0.0137 0.0102
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0043 0.2133 0.2023
Onchocerca volvulus 0.0161 1 1
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.0161 1 1
Mycobacterium ulcerans hypothetical protein 0.0161 1 1
Echinococcus multilocularis zinc phosphodiesterase 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.1536 0.1536
Schistosoma mansoni hypothetical protein 0.0019 0.0494 0.046
Onchocerca volvulus 0.0014 0.0137 0.0102
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.0161 1 1
Echinococcus granulosus GPCR family 2 0.0019 0.0494 0.046
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0098 0.5757 0.5741
Loa Loa (eye worm) hypothetical protein 0.0161 1 1
Schistosoma mansoni glucose transporter 0.0014 0.0137 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0137 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.096 0.096
Trypanosoma cruzi hexose transporter, putative 0.003 0.1246 0.1124
Trichomonas vaginalis beta lactamase domain, putative 0.0161 1 1
Echinococcus multilocularis synaptic vesicle 2 protein 0.0014 0.0137 0.0102
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0161 1 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0494 0.046
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.0789 0.0789
Trichomonas vaginalis beta lactamase domain, putative 0.0161 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.888 0.8876
Loa Loa (eye worm) sugar transporter 0.0014 0.0137 0.0102
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0098 0.5757 0.5741
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3252 0.3228
Brugia malayi hypothetical protein 0.0014 0.0137 0.0102
Leishmania major glucose transporter, lmgt2 0.003 0.1246 0.1124
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.0161 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0494 0.046
Plasmodium vivax unspecified product 0.0161 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0494 0.046
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1976 0.1947
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0494 0.046
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Onchocerca volvulus 0.0014 0.0137 0.0102
Brugia malayi major facilitator superfamily protein 0.0014 0.0137 0.0102
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0043 0.2133 0.2023
Trichomonas vaginalis conserved hypothetical protein 0.0161 1 1
Trypanosoma brucei glucose transporter 1E 0.003 0.1246 0.1124
Brugia malayi hypothetical protein 0.0161 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0043 0.2133 0.2104
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1386 0.1386
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0015 0.0195 0.0059
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0161 1 1
Schistosoma mansoni sugar transporter 0.0014 0.0137 0.0102
Trypanosoma cruzi glyoxalase II 0.0161 1 1
Mycobacterium leprae POSSIBLE HYDROLASE 0.0161 1 0.5
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0043 0.2133 0.2104
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1386 0.1386
Treponema pallidum ribonuclease Z 0.0161 1 0.5
Trypanosoma brucei glucose transporter 2A 0.003 0.1246 0.1124
Loa Loa (eye worm) hypothetical protein 0.0041 0.1976 0.1947
Schistosoma mansoni zinc phosphodiesterase 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.0792 0.0792
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0015 0.0195 0.016
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Leishmania major hypothetical protein, conserved 0.0161 1 1
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.0161 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 1 1
Mycobacterium tuberculosis Possible hydrolase 0.0161 1 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trichomonas vaginalis A-type flavoprotein 0.0161 1 1
Trypanosoma brucei glucose transporter, putative 0.003 0.1246 0.1124
Entamoeba histolytica metallo-beta-lactamase family protein 0.0161 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.1976 0.1947
Entamoeba histolytica hypothetical protein, conserved 0.0161 1 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0098 0.5757 0.5741
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0596 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.111 0.111
Entamoeba histolytica alkyl sulfatase, putative 0.0161 1 1
Echinococcus multilocularis General substrate transporter 0.0084 0.4837 0.4819
Trichomonas vaginalis conserved hypothetical protein 0.0161 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0137 0.0137
Brugia malayi Sugar transporter family protein 0.0014 0.0137 0.0102
Trypanosoma brucei glyoxalase II 0.0161 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0015 0.0195 0.016
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0018 0.0429 0.0295
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Onchocerca volvulus 0.0014 0.0137 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1386 0.1386
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.0161 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0043 0.2133 0.2023
Onchocerca volvulus 0.0014 0.0137 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1386 0.1386
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3252 0.3228
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.5757 0.5757
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0494 0.046
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.1536 0.1536
Schistosoma mansoni hypothetical protein 0.0161 1 1
Chlamydia trachomatis ribonuclease Z 0.0161 1 0.5
Trichomonas vaginalis sugar transporter, putative 0.003 0.1246 0.1246
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.888 0.8876
Mycobacterium tuberculosis Conserved protein 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1386 0.1386
Trichomonas vaginalis sugar transport protein, putative 0.0014 0.0137 0.0137
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Onchocerca volvulus 0.0014 0.0137 0.0102
Onchocerca volvulus 0.0014 0.0137 0.0102
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0494 0.046
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0043 0.2133 0.2104
Trichomonas vaginalis conserved hypothetical protein 0.0161 1 1
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Trypanosoma brucei metallo-beta-lactamase-like protein, putative 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.0789 0.0789
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0137 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.1536 0.1536
Trypanosoma cruzi hexose transporter, putative 0.003 0.1246 0.1124
Trichomonas vaginalis sugar transporter, putative 0.003 0.1246 0.1246
Loa Loa (eye worm) hypothetical protein 0.0161 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0137 0.0137
Toxoplasma gondii target of rapamycin (TOR), putative 0.0032 0.1386 0.1266
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2133 0.2133
Onchocerca volvulus 0.0014 0.0137 0.0102
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Entamoeba histolytica metallo-beta-lactamase family protein 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Schistosoma mansoni hypothetical protein 0.0161 1 1
Mycobacterium tuberculosis Possible hydrolase 0.0161 1 1
Schistosoma mansoni zinc phosphodiesterase 0.0161 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 1 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.1246 0.1246
Mycobacterium tuberculosis Conserved protein 0.0161 1 1
Mycobacterium ulcerans glyoxalase II, GloB 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Entamoeba histolytica type A flavoprotein, putative 0.0161 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0015 0.0195 0.0059
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 1 1
Echinococcus multilocularis solute carrier family 22 0.0014 0.0137 0.0102
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0015 0.0195 0.0059
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0494 0.046
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0161 1 1
Mycobacterium leprae conserved hypothetical protein 0.0161 1 0.5
Schistosoma mansoni glucose transport protein 0.0098 0.5757 0.5741
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.1536 0.1536
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0161 1 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0015 0.0195 0.0059
Trypanosoma brucei THT1 - hexose transporter, putative 0.003 0.1246 0.1124
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0098 0.5757 0.5741
Mycobacterium leprae Beta-lactamase-like protein 0.0161 1 0.5
Echinococcus multilocularis ETHE1 protein 0.0161 1 1
Trypanosoma brucei cleavage and polyadenylation specificity factor subunit, putative 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.3252 0.3228
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0161 1 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0015 0.0195 0.016
Trypanosoma brucei glucose transporter, putative 0.003 0.1246 0.1124
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0098 0.5757 0.5741
Mycobacterium leprae conserved hypothetical protein 0.0161 1 0.5
Mycobacterium tuberculosis Conserved protein 0.0161 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0098 0.5757 0.5741
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1386 0.1386
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0137 0.0102
Loa Loa (eye worm) hypothetical protein 0.0161 1 1
Onchocerca volvulus 0.0014 0.0137 0.0102
Plasmodium falciparum cytosolic glyoxalase II 0.0161 1 1
Brugia malayi Sugar transporter family protein 0.0098 0.5757 0.5741
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0019 0.0494 0.046
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0137 0.0137
Mycobacterium ulcerans hypothetical protein 0.0161 1 1
Leishmania major cleavage and polyadenylation specificity factor, putative 0.0161 1 1
Loa Loa (eye worm) sugar transporter 0.0098 0.5757 0.5741
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3252 0.3228
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0494 0.046
Brugia malayi MH2 domain containing protein 0.0144 0.888 0.8876
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0195 0.0195
Schistosoma mansoni glucose transport protein 0.0098 0.5757 0.5741
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0161 1 1
Onchocerca volvulus 0.0014 0.0137 0.0102
Leishmania major metallo-beta-lactamase family protein-like protein 0.0161 1 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0161 1 1
Trichomonas vaginalis glucose transporter, putative 0.003 0.1246 0.1246
Onchocerca volvulus 0.0014 0.0137 0.0102
Onchocerca volvulus 0.0014 0.0137 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1386 0.1386
Echinococcus multilocularis solute carrier family 22 0.0014 0.0137 0.0102
Onchocerca volvulus 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.0161 1 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.003 0.1246 0.1124
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0043 0.2133 0.2023
Mycobacterium ulcerans beta lactamase-like protein 0.0161 1 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.0161 1 1
Mycobacterium ulcerans hypothetical protein 0.0161 1 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Trichomonas vaginalis glucose transporter, putative 0.0014 0.0137 0.0137
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Mycobacterium ulcerans hydrolase 0.0161 1 1
Trichomonas vaginalis apoptosis inducing factor, putative 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0195 0.0195
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0015 0.0195 0.0059
Echinococcus granulosus solute carrier family 22 0.0014 0.0137 0.0102
Schistosoma mansoni glucose transport protein 0.0098 0.5757 0.5741
Schistosoma mansoni hypothetical protein 0.0019 0.0494 0.046
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0137 0.0102
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0043 0.2133 0.2023
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.096 0.096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0195 0.0195
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0043 0.2133 0.2104
Echinococcus granulosus synaptic vesicle 2 protein 0.0014 0.0137 0.0102
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0161 1 1
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Echinococcus granulosus zinc phosphodiesterase 0.0161 1 1
Echinococcus multilocularis solute carrier family 22 0.0014 0.0137 0.0102
Leishmania major metallo-beta-lactamase family-like protein 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.0792 0.0792
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0195 0.0195
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0015 0.0195 0.016
Schistosoma mansoni hypothetical protein 0.0161 1 1
Plasmodium falciparum hexose transporter 0.0098 0.5757 0.5698
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0043 0.2133 0.2104
Leishmania major glucose transporter, lmgt3 0.003 0.1246 0.1124
Giardia lamblia Metallo-beta-lactamase superfamily protein 0.0161 1 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.003 0.1246 0.1124
Mycobacterium ulcerans hypothetical protein 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Onchocerca volvulus Putative transporter 0.0014 0.0137 0.0102
Trichomonas vaginalis myo-inositol transporter, putative 0.0014 0.0137 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.0792 0.0792
Onchocerca volvulus 0.0014 0.0137 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2133 0.2133
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trypanosoma brucei glucose transporter, putative 0.003 0.1246 0.1124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0942 0.0942
Trichomonas vaginalis sugar transporter, putative 0.003 0.1246 0.1246
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0043 0.2133 0.2023
Brugia malayi hypothetical protein 0.0014 0.0137 0.0102
Echinococcus granulosus ETHE1 protein 0.0161 1 1
Trichomonas vaginalis glucose transporter, putative 0.003 0.1246 0.1246
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trypanosoma cruzi glyoxalase II 0.0161 1 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trypanosoma brucei glucose transporter, putative 0.003 0.1246 0.1124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0942 0.0942
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0014 0.0137 0.0102
Mycobacterium tuberculosis Beta lactamase like protein 0.0161 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0494 0.046
Trichomonas vaginalis conserved hypothetical protein 0.0161 1 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Mycobacterium ulcerans hydrolase 0.0161 1 1
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0161 1 1
Trypanosoma brucei glucose transporter, putative 0.003 0.1246 0.1124
Trypanosoma cruzi glyoxalase II 0.0161 1 1
Echinococcus multilocularis solute carrier family 22 0.0014 0.0137 0.0102
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Schistosoma mansoni hypothetical protein 0.0098 0.5757 0.5741
Leishmania major glucose transporter, lmgt1 0.003 0.1246 0.1124
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0102
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Brugia malayi metallo-beta-lactamase superfamily protein 0.0161 1 1
Schistosoma mansoni sugar transporter 0.0014 0.0137 0.0102
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0161 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0161 1 1
Plasmodium vivax hexose transporter 0.0098 0.5757 0.5698
Entamoeba histolytica alkyl sulfatase, putative 0.0161 1 1
Onchocerca volvulus Putative hydrolase PNKD 0.0161 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0161 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.096 0.096
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trichomonas vaginalis sugar transporter, putative 0.0014 0.0137 0.0137
Trichomonas vaginalis beta lactamase domain, putative 0.0161 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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

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

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

Annotated phenotypes:

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