Detailed information for compound 1387497

Basic information

Technical information
  • TDR Targets ID: 1387497
  • Name: N-[(4-bromophenyl)methyl]-N-(pyridin-4-ylmeth yl)ethanamine; oxalic acid
  • MW: 395.248 | Formula: C17H19BrN2O4
  • H donors: 2 H acceptors: 5 LogP: 0.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.CCN(Cc1ccncc1)Cc1ccc(cc1)Br
  • InChi: 1S/C15H17BrN2.C2H2O4/c1-2-18(12-14-7-9-17-10-8-14)11-13-3-5-15(16)6-4-13;3-1(4)2(5)6/h3-10H,2,11-12H2,1H3;(H,3,4)(H,5,6)
  • InChiKey: YETNFAGJFVWVKO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-bromophenyl)methyl]-N-(4-pyridylmethyl)ethanamine; oxalic acid
  • (4-bromobenzyl)-ethyl-(4-pyridylmethyl)amine; oxalic acid
  • N-[(4-bromophenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine; ethanedioic acid
  • MLS001183843
  • SMR000502352

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni jumonji domain containing 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
Echinococcus granulosus Transcription factor JmjC domain containing protein 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
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) 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
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
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
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis chromobox protein, 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus bromodomain adjacent to zinc finger domain 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 multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus 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
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Schistosoma japonicum expressed 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi Heterochromatin protein 1 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative 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
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus jumonji 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
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
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 tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0621 0.7154 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0858 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3136 0.7907
Brugia malayi Heterochromatin protein 1 0.0084 0.0711 0.0678
Toxoplasma gondii carbamoylphosphate synthetase 0.0074 0.0587 0.0529
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0711 0.1588
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0116 0.1096 0.2905
Chlamydia trachomatis biotin carboxylase 0.0297 0.3263 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0116 0.1096 0.2905
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0074 0.0587 0.0529
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0327 0.3624 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0116 0.1096 0.2905
Onchocerca volvulus 0.0037 0.0145 0.007
Schistosoma mansoni bromodomain containing protein 0.0076 0.0619 0.0619
Brugia malayi Carboxyl transferase domain containing protein 0.0828 0.9639 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0267 0.0215
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0124 0.0124
Plasmodium falciparum phd finger protein, putative 0.0035 0.0124 0.0088
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0327 0.3624 0.3624
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1771 0.48
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0381 0.0381
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.003 0.0061 0.0061
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0116 0.1096 0.172
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0711 0.1588
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.003 0.0061 0.0061
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0049 0.0292 0.0302
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0074 0.0587 0.0874
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0134 0.0073
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0222 0.0195
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1086 0.1061
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0074 0.0587 0.1476
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0118 0.009
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0711 0.0738
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0074 0.0587 0.0587
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0146 0.1457 0.3495
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0116 0.1096 0.2905
Brugia malayi PHD-finger family protein 0.003 0.0062 0.0001
Echinococcus granulosus peregrin 0.0038 0.0158 0.0131
Loa Loa (eye worm) hypothetical protein 0.0047 0.0267 0.0277
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0327 0.3624 0.5922
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1086 0.1061
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0074 0.0587 0.1476
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0327 0.3624 0.3606
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0116 0.1096 0.1041
Leishmania major acetyl-CoA carboxylase, putative 0.0858 1 1
Trypanosoma brucei unspecified product 0.0215 0.228 0.2232
Schistosoma mansoni chromobox protein 0.0084 0.0711 0.0711
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0134 0.0106
Echinococcus granulosus Biotin lipoyl attachment 0.003 0.0061 0.0034
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0116 0.1096 0.172
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.394 1
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0828 0.9639 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.394 1
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.003 0.0061 0.0034
Echinococcus granulosus chromobox protein 1 0.0084 0.0711 0.0685
Brugia malayi jmjC domain containing protein 0.0115 0.1086 0.1069
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2719 0.2821
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0116 0.1096 0.2905
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0037 0.0145 0.015
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.394 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0074 0.0587 0.0587
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0222 0.0195
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0124 0.0096
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1771 0.48
Onchocerca volvulus 0.0286 0.3136 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.031 0.0543
Echinococcus multilocularis Biotin lipoyl attachment 0.003 0.0061 0.0034
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0327 0.3624 1
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0327 0.3624 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0327 0.3624 0.3584
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0116 0.1096 0.2905
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0116 0.1096 0.2905
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0116 0.1096 0.3233
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0621 0.7154 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.394 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0299 0.0299
Echinococcus multilocularis chromobox protein 1 0.0084 0.0711 0.0685
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0574 0.0595
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.394 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.024 0.0249
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0124 0.0062
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0381 0.0354
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0327 0.3624 0.3606
Loa Loa (eye worm) hypothetical protein 0.003 0.0061 0.0064
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0116 0.1096 0.1041
Echinococcus granulosus chromobox protein 1 0.0084 0.0711 0.0685
Schistosoma mansoni aspartate carbamoyltransferase 0.0074 0.0587 0.0587
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0327 0.3624 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0213 0.0185
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.024 0.0213
Brugia malayi jmjC domain containing protein 0.0045 0.024 0.0187
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0116 0.1096 0.2905
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0116 0.1096 0.1072
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0116 0.1096 0.2905
Loa Loa (eye worm) hypothetical protein 0.0057 0.0381 0.0395
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.003 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0052 0.0319 0.0331
Plasmodium vivax SET domain protein, putative 0.0036 0.0134 0.0102
Onchocerca volvulus 0.005 0.0299 0.0583
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0567 0.054
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0327 0.3624 0.3584
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.024 0.024
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0124 0.0062
Leishmania major carboxylase, putative 0.0327 0.3624 0.3584
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.394 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.031 0.0543
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0858 1 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0289 0.0262
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.394 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0327 0.3624 0.3584
Brugia malayi Pre-SET motif family protein 0.0251 0.2719 0.2775
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0567 0.054
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.024 0.024
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.031 0.0619
Echinococcus multilocularis peregrin 0.0038 0.0158 0.0131
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0381 0.0381
Schistosoma mansoni hypothetical protein 0.0035 0.0124 0.0124
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.394 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.0711 0.0685
Schistosoma mansoni acetyl-CoA carboxylase 0.0858 1 1
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0116 0.1096 0.2905
Brugia malayi Bromodomain containing protein 0.0038 0.0158 0.0101
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1771 0.48
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0116 0.1096 0.1041
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.394 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0124 0.0128
Mycobacterium ulcerans pyruvate carboxylase 0.0327 0.3624 1
Leishmania major carbamoyl-phosphate synthase, putative 0.0074 0.0587 0.0529
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0124 0.0088
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0116 0.1096 0.2905
Toxoplasma gondii pyruvate carboxylase 0.0327 0.3624 0.3584
Trypanosoma cruzi acetyl-CoA carboxylase 0.0531 0.6077 1
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.003 0.0061 0.0034
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0124 0.0096
Schistosoma mansoni pyruvate carboxylase 0.0327 0.3624 0.3624
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0074 0.0587 0.0742
Schistosoma mansoni chromobox protein 0.0084 0.0711 0.0711
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0381 0.0354
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.003 0.0061 0.0034
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0267 0.0431
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0116 0.1096 0.1096
Brugia malayi Bromodomain containing protein 0.0091 0.0788 0.0759
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0116 0.1096 0.172
Loa Loa (eye worm) hypothetical protein 0.0085 0.0726 0.0754
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0327 0.3624 1
Brugia malayi Bromodomain containing protein 0.0046 0.0256 0.0203
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0267 0.0431
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0289 0.0262
Brugia malayi Pre-SET motif family protein 0.0036 0.0134 0.0075
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.394 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0858 1 1
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0327 0.3624 1
Brugia malayi PHD-finger family protein 0.0035 0.0124 0.0065
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.394 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0327 0.3624 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0267 0.0477
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0327 0.3624 0.3624
Loa Loa (eye worm) hypothetical protein 0.006 0.0426 0.0442
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0801 0.0801
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0074 0.0587 0.0874
Plasmodium falciparum carbamoyl phosphate synthetase 0.0074 0.0587 0.0742
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0116 0.1096 0.1041
Loa Loa (eye worm) hypothetical protein 0.0035 0.0124 0.0128
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0116 0.1096 0.1072
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.003 0.0061 0.0034
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0116 0.1096 0.2905
Trypanosoma brucei acetyl-CoA carboxylase 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0061 0.0064
Loa Loa (eye worm) hypothetical protein 0.0046 0.0257 0.0267
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0327 0.3624 0.5922
Loa Loa (eye worm) hypothetical protein 0.003 0.0061 0.0064
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.394 1
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.003 0.0061 0.0061

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 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) 5.0119 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) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.4179 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 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) 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) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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