Detailed information for compound 1323234

Basic information

Technical information
  • TDR Targets ID: 1323234
  • Name: oxalic acid; 1-(phenylmethyl)-N-[(2-prop-2-yn oxyphenyl)methyl]piperidin-4-amine
  • MW: 424.49 | Formula: C24H28N2O5
  • H donors: 3 H acceptors: 4 LogP: -1.35 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.C#CCOc1ccccc1CNC1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C22H26N2O.C2H2O4/c1-2-16-25-22-11-7-6-10-20(22)17-23-21-12-14-24(15-13-21)18-19-8-4-3-5-9-19;3-1(4)2(5)6/h1,3-11,21,23H,12-18H2;(H,3,4)(H,5,6)
  • InChiKey: KGXHXSIASTYPII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • oxalic acid; 1-(phenylmethyl)-N-[(2-prop-2-ynoxyphenyl)methyl]-4-piperidinamine
  • [1-(benzyl)-4-piperidyl]-(2-propargyloxybenzyl)amine; oxalic acid
  • ethanedioic acid; 1-(phenylmethyl)-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
  • T5364903

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein 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
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein 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 Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0596 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0389 0.0477
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0555 0.0517
Loa Loa (eye worm) hypothetical protein 0.006 0.0617 0.0641
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0389 0.0431
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0596 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1582 0.1548
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0219
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.035 0.0311
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1036 0.1588
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0081 0.0978 0.1676
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0323 0.0284
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0432 0.7116 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5741 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0227 0.3539 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0836 0.0868
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5741 1
Toxoplasma gondii carbamoylphosphate synthetase 0.0051 0.0462 0.0288
Brugia malayi Bromodomain containing protein 0.0091 0.1149 0.1109
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0195 0.0155
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0323 0.0284
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0102 0.1344 0.2093
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0172 0.0132
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0227 0.3539 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.457 0.7907
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5741 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0051 0.0462 0.0462
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0227 0.3539 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.018 0.014
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.5741 0.5
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.018 0.014
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0081 0.0978 0.1676
Echinococcus multilocularis chromobox protein 1 0.0084 0.1036 0.1
Schistosoma mansoni acetyl-CoA carboxylase 0.0596 1 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0051 0.0462 0.0462
Loa Loa (eye worm) hypothetical protein 0.006 0.062 0.0644
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0555 0.0517
Plasmodium vivax SET domain protein, putative 0.0036 0.0195 0.0021
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0452 0.0543
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5741 1
Brugia malayi Bromodomain containing protein 0.0038 0.023 0.0146
Loa Loa (eye worm) hypothetical protein 0.0085 0.1059 0.1099
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0081 0.0978 0.1676
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5741 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.018 0.018
Echinococcus multilocularis peregrin 0.0038 0.023 0.0191
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0421 0.0383
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0081 0.0978 0.0813
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0081 0.0978 0.0927
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0051 0.0462 0.0462
Schistosoma mansoni chromobox protein 0.0084 0.1036 0.1036
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0227 0.3539 0.3226
Brugia malayi jmjC domain containing protein 0.0045 0.035 0.0272
Toxoplasma gondii pyruvate carboxylase 0.0227 0.3539 0.3421
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0617 0.0641
Onchocerca volvulus 0.005 0.0436 0.0583
Echinococcus granulosus chromobox protein 1 0.0084 0.1036 0.1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0081 0.0978 0.0942
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.5741 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0432 0.7116 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0421 0.0383
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0596 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0389 0.0431
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0227 0.3539 0.3226
Loa Loa (eye worm) hypothetical protein 0.0047 0.0389 0.0404
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5741 1
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0081 0.0978 0.1676
Trypanosoma brucei unspecified product 0.0149 0.2177 0.1798
Schistosoma mansoni pyruvate carboxylase 0.0227 0.3539 0.3539
Brugia malayi Heterochromatin protein 1 0.0084 0.1036 0.0991
Echinococcus granulosus peregrin 0.0038 0.023 0.0191
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0081 0.0978 0.0927
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0227 0.3539 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0555 0.0555
Brugia malayi Pre-SET motif family protein 0.0036 0.0195 0.0109
Leishmania major acetyl-CoA carboxylase, putative 0.0596 1 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0901 0.0901
Loa Loa (eye worm) hypothetical protein 0.0041 0.0284 0.0295
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0452 0.0543
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0195 0.0015
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0617 0.0552
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0436 0.0436
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0227 0.3539 0.3226
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0617 0.0552
Leishmania major carboxylase, putative 0.0227 0.3539 0.3226
Brugia malayi Bromodomain containing protein 0.0046 0.0373 0.0296
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0227 0.3539 0.3513
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0081 0.0978 0.1676
Onchocerca volvulus 0.0037 0.0211 0.007
Brugia malayi jmjC domain containing protein 0.0115 0.1582 0.1563
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0081 0.0978 0.0541
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0452 0.0619
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5741 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.5741 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0389 0.0313
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0227 0.3539 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.018 0.0187
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.2581 0.626
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0575 0.9634 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0227 0.3539 0.5531
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.031 0.027
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0826 0.0788
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0227 0.3539 0.3539
Loa Loa (eye worm) hypothetical protein 0.0046 0.0375 0.0389
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0081 0.0978 0.1676
Brugia malayi Pre-SET motif family protein 0.0251 0.3962 0.4057
Echinococcus granulosus chromobox protein 1 0.0084 0.1036 0.1
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0051 0.0462 0.0407
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.3962 0.4113
Brugia malayi Carboxyl transferase domain containing protein 0.0575 0.9634 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.004 0.004
Trypanosoma brucei acetyl-CoA carboxylase 0.0596 1 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0081 0.0978 0.0927
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0081 0.0978 0.1676
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0081 0.0978 0.0541
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0227 0.3539 0.3539
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.5741 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.035 0.0363
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0227 0.3539 1
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0081 0.0978 0.0541
Loa Loa (eye worm) hypothetical protein 0.0035 0.018 0.0187
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1167 0.1167
Echinococcus multilocularis chromobox protein 1 0.0084 0.1036 0.1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0284 0.0203
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0555 0.0555
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0227 0.3539 1
Schistosoma mansoni hypothetical protein 0.0035 0.018 0.018
Trypanosoma cruzi acetyl-CoA carboxylase 0.0369 0.6025 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1036 0.1588
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0227 0.3539 0.3513
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.2581 0.6887
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0826 0.0788
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.035 0.035
Plasmodium falciparum carbamoyl phosphate synthetase 0.0051 0.0462 0.0407
Mycobacterium ulcerans pyruvate carboxylase 0.0227 0.3539 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1036 0.1076
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0081 0.0978 0.0978
Chlamydia trachomatis biotin carboxylase 0.0206 0.3174 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.035 0.035
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0227 0.3539 0.5531
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0081 0.0978 0.0942
Schistosoma mansoni hypothetical protein 0.0041 0.0284 0.0284
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1582 0.1548
Loa Loa (eye worm) hypothetical protein 0.0057 0.0555 0.0576
Schistosoma mansoni chromobox protein 0.0084 0.1036 0.1036
Loa Loa (eye worm) hypothetical protein 0.0052 0.0465 0.0483
Onchocerca volvulus 0.0286 0.457 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0049 0.0425 0.0441
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.2581 0.626
Brugia malayi PHD-finger family protein 0.0035 0.018 0.0094
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5741 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 64.92 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 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) 9.285 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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 Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 13.1154 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) 15.8489 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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