Detailed information for compound 1290617

Basic information

Technical information
  • TDR Targets ID: 1290617
  • Name: 3-amino-4-[(3,5-dimethylphenyl)amino]benzoic acid
  • MW: 256.3 | Formula: C15H16N2O2
  • H donors: 3 H acceptors: 2 LogP: 3.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(cc(c1)C)Nc1ccc(cc1N)C(=O)O
  • InChi: 1S/C15H16N2O2/c1-9-5-10(2)7-12(6-9)17-14-4-3-11(15(18)19)8-13(14)16/h3-8,17H,16H2,1-2H3,(H,18,19)
  • InChiKey: HIPRMSWFFCFOQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • IFLab1_004500
  • MLS000100458
  • SMR000017026
  • IDI1_010255
  • EU-0033283
  • Oprea1_384725
  • MLS000047627

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens Ras converting CAAX endopeptidase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Sus scrofa Trypsin 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_129169 All targets in OG5_129169
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Leishmania braziliensis CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi CAAX amino terminal protease family protein Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum ko:K08658 prenyl protein peptidase, putative Get druggable targets OG5_129169 All targets in OG5_129169
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
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 CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Entamoeba histolytica CAAX prenyl protease family Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania mexicana CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma congolense CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania donovani CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Giardia lamblia Hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48), putative Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster CG4914 gene product from transcript CG4914-RA Trypsin   231 aa 245 aa 38.8 %
Onchocerca volvulus Trypsin   231 aa 212 aa 21.2 %
Drosophila melanogaster CG31267 gene product from transcript CG31267-RA Trypsin   231 aa 233 aa 32.2 %
Drosophila melanogaster CG17239 gene product from transcript CG17239-RB Trypsin   231 aa 227 aa 33.5 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 235 aa 25.5 %
Drosophila melanogaster CG30323 gene product from transcript CG30323-RB Trypsin   231 aa 210 aa 23.3 %
Drosophila melanogaster Jonah 65Aiii Trypsin   231 aa 241 aa 34.0 %
Echinococcus granulosus transmembrane protease serine 3 Trypsin   231 aa 234 aa 33.8 %
Schistosoma japonicum Cercarial protease precursor (EC 3.4.21.-) (Cercarial elastase), putative Trypsin   231 aa 204 aa 25.0 %
Echinococcus granulosus enteropeptidase Trypsin   231 aa 230 aa 28.3 %
Onchocerca volvulus Trypsin   231 aa 251 aa 22.7 %
Drosophila melanogaster Jonah 99Ci Trypsin   231 aa 235 aa 31.9 %
Trypanosoma cruzi hypothetical protein, conserved Trypsin   231 aa 188 aa 23.9 %
Drosophila melanogaster CG9673 gene product from transcript CG9673-RB Trypsin   231 aa 239 aa 27.6 %
Echinococcus multilocularis glycoprotein Antigen 5 Trypsin   231 aa 301 aa 22.3 %
Drosophila melanogaster CG13744 gene product from transcript CG13744-RA Trypsin   231 aa 249 aa 31.3 %
Drosophila melanogaster Jonah 65Aii Trypsin   231 aa 235 aa 35.3 %
Drosophila melanogaster CG9733 gene product from transcript CG9733-RB Trypsin   231 aa 262 aa 31.3 %
Drosophila melanogaster Spatzle-Processing Enzyme Trypsin   231 aa 271 aa 29.1 %
Echinococcus multilocularis Mastin Trypsin   231 aa 306 aa 24.2 %
Echinococcus granulosus glycoprotein Antigen 5 Trypsin   231 aa 301 aa 23.9 %
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family Trypsin   231 aa 286 aa 24.8 %
Drosophila melanogaster CG18180 gene product from transcript CG18180-RA Trypsin   231 aa 233 aa 27.9 %
Loa Loa (eye worm) hypothetical protein Trypsin   231 aa 238 aa 21.4 %
Drosophila melanogaster CG10405 gene product from transcript CG10405-RB Trypsin   231 aa 242 aa 31.8 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 235 aa 25.5 %
Echinococcus granulosus Mastin Trypsin   231 aa 306 aa 23.9 %
Drosophila melanogaster CG3916 gene product from transcript CG3916-RA Trypsin   231 aa 245 aa 31.4 %
Drosophila melanogaster CG34436 gene product from transcript CG34436-RA Trypsin   231 aa 214 aa 22.0 %
Schistosoma japonicum IPR001254,Peptidase S1 and S6, chymotrypsin/Hap;IPR009003,Peptidase, trypsin-like serine and cysteine,domain-containing Trypsin   231 aa 225 aa 23.1 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 201 aa 22.9 %
Schistosoma japonicum Transmembrane protease, serine 9, putative Trypsin   231 aa 246 aa 21.1 %
Drosophila melanogaster CG31326 gene product from transcript CG31326-RA Trypsin   231 aa 249 aa 24.1 %
Drosophila melanogaster CG11313 gene product from transcript CG11313-RC Trypsin   231 aa 255 aa 31.8 %
Drosophila melanogaster CG30288 gene product from transcript CG30288-RC Trypsin   231 aa 245 aa 29.0 %
Drosophila melanogaster CG18420 gene product from transcript CG18420-RA Trypsin   231 aa 239 aa 28.4 %
Echinococcus multilocularis transmembrane protease serine 3 Trypsin   231 aa 233 aa 33.0 %
Drosophila melanogaster CG30287 gene product from transcript CG30287-RA Trypsin   231 aa 249 aa 27.7 %
Drosophila melanogaster CG14990 gene product from transcript CG14990-RA Trypsin   231 aa 238 aa 29.4 %
Drosophila melanogaster CG33458 gene product from transcript CG33458-RA Trypsin   231 aa 254 aa 28.4 %
Drosophila melanogaster CG31220 gene product from transcript CG31220-RB Trypsin   231 aa 263 aa 27.8 %
Schistosoma japonicum ko:K01346 pancreatic elastase II [EC3.4.21.71], putative Trypsin   231 aa 303 aa 24.1 %
Drosophila melanogaster CG5909 gene product from transcript CG5909-RA Trypsin   231 aa 256 aa 28.9 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 302 aa 24.8 %
Brugia malayi hypothetical protein Ras converting CAAX endopeptidase 1 225 aa 181 aa 21.6 %
Neospora caninum ELMO/CED-12 family domain-containing protein, putative Trypsin   231 aa 193 aa 22.8 %
Echinococcus multilocularis enteropeptidase Trypsin   231 aa 230 aa 27.8 %
Drosophila melanogaster CG6582 gene product from transcript CG6582-RA Trypsin   231 aa 187 aa 23.5 %
Drosophila melanogaster CG33465 gene product from transcript CG33465-RC Trypsin   231 aa 225 aa 21.8 %
Drosophila melanogaster Jonah 66Ci Trypsin   231 aa 234 aa 32.9 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 247 aa 35.2 %
Schistosoma japonicum ko:K09637 transmembrane protease, serine 6, putative Trypsin   231 aa 242 aa 28.9 %
Drosophila melanogaster CG3505 gene product from transcript CG3505-RA Trypsin   231 aa 232 aa 30.6 %
Drosophila melanogaster CG9997 gene product from transcript CG9997-RB Trypsin   231 aa 194 aa 23.2 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin   231 aa 237 aa 24.1 %
Drosophila melanogaster CG30083 gene product from transcript CG30083-RB Trypsin   231 aa 209 aa 29.7 %
Schistosoma japonicum Enteropeptidase, putative Trypsin   231 aa 262 aa 25.6 %
Schistosoma mansoni aminopeptidase PILS (M01 family) Trypsin   231 aa 300 aa 22.3 %
Drosophila melanogaster CG32277 gene product from transcript CG32277-RA Trypsin   231 aa 221 aa 33.5 %
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) Trypsin   231 aa 286 aa 25.2 %
Drosophila melanogaster CG4815 gene product from transcript CG4815-RA Trypsin   231 aa 212 aa 27.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0388 0.0369
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0042 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.219 0.2214
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0797 0.0784
Loa Loa (eye worm) latrophilin receptor protein 2 0.0103 0.149 0.1462
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0025 0.0033 0.0848
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0648 0.0632
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.3244 0.3221
Plasmodium vivax acetyl-CoA synthetase, putative 0.0025 0.0033 0.779
Schistosoma mansoni inositol monophosphatase 0.0037 0.026 0.0233
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.026 0.0233
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.026 0.0235
Echinococcus multilocularis GPCR, family 2 0.0103 0.149 0.1495
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0103 0.149 0.1495
Echinococcus multilocularis CAAX prenyl protease 2 0.0111 0.1638 0.1647
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0388 0.2215
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0025 0.0033 0.0033
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0188 0.0197
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0388 0.0369
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0042 0.001
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0388 0.2215
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0388 0.2215
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.219 0.2214
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0033 0.0201
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0025 0.0033 0.0035
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.026 0.0239
Schistosoma mansoni alpha-glucosidase 0.0169 0.2733 0.277
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.43 0.4281
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Echinococcus granulosus geminin 0.0547 0.9778 1
Leishmania major hypothetical protein, conserved 0.0025 0.0042 0.001
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0388 0.2371
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0388 0.0365
Loa Loa (eye worm) transcription factor SMAD2 0.0253 0.43 0.4281
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.014 0.219 0.2164
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Onchocerca volvulus 0.0114 0.1696 0.9999
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0648 0.0632
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0388 0.0374
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.026 0.026
Brugia malayi Inositol-1 0.0037 0.026 0.0228
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0388 0.0357
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0025 0.0033 0.0035
Brugia malayi Calcitonin receptor-like protein seb-1 0.0325 0.5629 0.5614
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0025 0.0033 0.0033
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.026 0.1414
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0899 0.0889
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0541 0.9673 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0103 0.149 0.1462
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0111 0.1638 0.1688
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.1638 0.1647
Brugia malayi latrophilin 2 splice variant baaae 0.0222 0.3713 0.3692
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0033 0.0035
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0222 0.3713 0.3692
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0103 0.149 0.1495
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0033 0.0035
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0648 0.0632
Leishmania major fatty acid transporter protein-like protein 0.0534 0.9541 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.3244 0.3295
Mycobacterium ulcerans acetyl-CoA synthetase 0.0025 0.0033 0.0033
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0042 0.0058
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0025 0.0033 0.779
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Schistosoma mansoni alpha-glucosidase 0.0169 0.2733 0.277
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0388 0.2215
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0797 0.0784
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0648 0.0632
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0111 0.1638 0.161
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0388 0.2215
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0899 0.0889
Onchocerca volvulus 0.0106 0.1558 0.9168
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0899 0.0889
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.3244 0.3295
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.026 0.1414
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0388 0.2215
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0388 0.2215
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.026 0.0233
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0388 0.0365
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0033 0.0035
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0114 0.1697 0.1707
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0534 0.9541 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.219 0.2214
Schistosoma mansoni FFA transport protein 0.0541 0.9673 0.9892
Brugia malayi MH2 domain containing protein 0.0253 0.43 0.4281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.219 0.2214
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0388 0.2215
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0899 0.0869
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0111 0.1638 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0648 0.37
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0797 0.0784
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0025 0.0033 0.0033
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0025 0.0033 0.0035
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0033 0.0201
Schistosoma mansoni hypothetical protein 0.0103 0.149 0.1495
Loa Loa (eye worm) hypothetical protein 0.0025 0.0042 0.0009
Echinococcus multilocularis geminin 0.0547 0.9778 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.026 0.0235
Echinococcus granulosus GPCR family 2 0.0103 0.149 0.1495
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0025 0.0033 0.0033
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.014 0.219 0.2164
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0025 0.0033 0.0201
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0025 0.0033 0.0035
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0033 0.0201
Mycobacterium ulcerans hypothetical protein 0.0025 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0325 0.5629 0.5614
Onchocerca volvulus 0.0114 0.1697 1
Schistosoma mansoni hypothetical protein 0.0547 0.9778 1
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0534 0.9541 1
Loa Loa (eye worm) MBCTL1 0.0066 0.0797 0.0767
Brugia malayi jmjC domain containing protein 0.0071 0.0899 0.0869
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0103 0.149 0.1495
Loa Loa (eye worm) hypothetical protein 0.0058 0.0648 0.0618
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0103 0.149 0.1495
Brugia malayi Trypsin family protein 0.0114 0.1697 0.1669
Brugia malayi mbt repeat family protein 0.0058 0.0648 0.0618
Schistosoma mansoni hypothetical protein 0.0103 0.149 0.1495
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0114 0.1697 0.1707
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0042 0.1088
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.026 0.1586
Echinococcus granulosus long chain fatty acid transport protein 4 0.0541 0.9673 0.9892
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0797 0.0767
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.3244 0.3221
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0388 0.2371
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0033 0.0033
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0025 0.0033 0.0035
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0033 0.0033
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0111 0.1638 0.1665
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0033 0.0035
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0388 0.0357
Schistosoma mansoni hypothetical protein 0.0103 0.149 0.1495
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0042 0.001
Loa Loa (eye worm) hypothetical protein 0.0066 0.0797 0.0767
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0388 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0042 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0648 0.0632
Schistosoma mansoni inositol monophosphatase 0.0037 0.026 0.0233
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.026 0.5
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0648 0.0618
Brugia malayi jmjC domain containing protein 0.0071 0.0899 0.0869
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0033 0.0033
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0899 0.0889
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0648 0.0632
Echinococcus granulosus CAAX prenyl protease 2 0.0111 0.1638 0.1647
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0033 0.0033
Brugia malayi hypothetical protein 0.0025 0.0042 0.0009
Entamoeba histolytica CAAX prenyl protease family 0.0111 0.1638 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.219 0.2214
Loa Loa (eye worm) inositol-1 0.0037 0.026 0.0228
Schistosoma mansoni alpha glucosidase 0.0044 0.0388 0.0365
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0899 0.0889
Brugia malayi mbt repeat family protein 0.0058 0.0648 0.0618
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.219 0.2214
Schistosoma mansoni hypothetical protein 0.0547 0.9778 1
Giardia lamblia Hypothetical protein 0.0111 0.1638 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0033 0.0035
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0111 0.1638 0.1665
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0797 0.0784
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0033 0.0035
Trypanosoma brucei CAAX amino terminal protease, putative 0.0111 0.1638 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0541 0.9673 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.3808 0.3874
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0325 0.5629 0.5614
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0025 0.0033 0.0035
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0797 0.0784
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0899 0.0889
Schistosoma mansoni hypothetical protein 0.0103 0.149 0.1495
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0188 0.0163
Loa Loa (eye worm) hypothetical protein 0.0114 0.1697 0.1669
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.026 0.1414
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0042 1
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0025 0.0033 0.0033
Onchocerca volvulus 0.0058 0.0648 0.37
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0325 0.5629 0.5614
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0025 0.0033 0.0848
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.026 0.1414
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.1638 0.1647
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0114 0.1697 0.1669
Trypanosoma brucei glucosidase, putative 0.0044 0.0388 0.2215
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0033 0.0033
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.3244 0.3295
Schistosoma mansoni hypothetical protein 0.0222 0.3713 0.3776
Brugia malayi CAAX amino terminal protease family protein 0.0111 0.1638 0.161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.219 0.2214
Brugia malayi Latrophilin receptor protein 2 0.0103 0.149 0.1462
Toxoplasma gondii propionate-CoA ligase 0.0025 0.0033 0.0848
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0541 0.9673 0.9892
Loa Loa (eye worm) hypothetical protein 0.0103 0.149 0.1462
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0899 0.0889
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0388 0.2215
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.3808 0.3874
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0648 0.0632
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.026 0.6689
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0025 0.0033 0.0033
Schistosoma mansoni hypothetical protein 0.035 0.6105 0.6231
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0025 0.0033 0.0035

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 2.731 uM PUBCHEM_BIOASSAY: Trypsin Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
AC50 (binding) = 3.8 uM PUBCHEM_BIOASSAY: Human Ras-Converting Enzyme Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
AC50 (binding) = 84.49 uM PUBCHEM_BIOASSAY: Ras-converting Enzyme/Cell Proliferation Pathway Measured in Biochemical System Using Plate Reader - 2034-01_Inhibitor_Dose_CherryPick. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
IC50 (functional) 47.14 uM PubChem BioAssay. An HIV-1 Tat-TAR Fluorescence Polarization (FP) Counter Screen to evaluate Inhibitors Targeting HIV-1 Vif-dependent Degradation of Human APOBEC3G. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5221 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) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 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) = 11.2202 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) = 12.5893 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 (functional) 14.7157 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) 20.5962 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) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] 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: 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 79.4328 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.

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