Detailed information for compound 1413492

Basic information

Technical information
  • TDR Targets ID: 1413492
  • Name: ethyl (4Z)-2-methyl-1-(4-methylphenyl)-5-oxo- 4-(thiophen-2-ylmethylidene)pyrrole-3-carboxy late
  • MW: 353.435 | Formula: C20H19NO3S
  • H donors: 0 H acceptors: 2 LogP: 3.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccs1)c1ccc(cc1)C
  • InChi: 1S/C20H19NO3S/c1-4-24-20(23)18-14(3)21(15-9-7-13(2)8-10-15)19(22)17(18)12-16-6-5-11-25-16/h5-12H,4H2,1-3H3/b17-12-
  • InChiKey: HQEVAWZHUQQXMP-ATVHPVEESA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-methyl-1-(4-methylphenyl)-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
  • ethyl (4Z)-2-methyl-1-(4-methylphenyl)-5-oxo-4-(2-thienylmethylene)pyrrole-3-carboxylate
  • ethyl 2-methyl-1-(4-methylphenyl)-5-oxo-4-(2-thienylmethylene)pyrrole-3-carboxylate
  • (4Z)-2-methyl-1-(4-methylphenyl)-5-oxo-4-(2-thienylmethylene)-3-pyrrolecarboxylic acid ethyl ester
  • 2-methyl-1-(4-methylphenyl)-5-oxo-4-(2-thienylmethylene)-3-pyrrolecarboxylic acid ethyl ester
  • (4Z)-5-keto-2-methyl-1-(4-methylphenyl)-4-(2-thienylmethylene)-2-pyrroline-3-carboxylic acid ethyl ester
  • 5-keto-2-methyl-1-(4-methylphenyl)-4-(2-thienylmethylene)-2-pyrroline-3-carboxylic acid ethyl ester
  • SMR000197084
  • ethyl 2-methyl-1-(4-methylphenyl)-5-oxo-4-(2-thienylmethylene)-4,5-dihydro-1H-pyrrole-3-carboxylate
  • STK168457
  • ZINC04703004
  • MLS000576415

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni jumonji 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
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
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative 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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni bromodomain containing 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 ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum expressed 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
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
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
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Conserved hypothetical protein 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
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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) 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
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii hypothetical protein 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
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
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Theileria parva hypothetical 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 mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 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
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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum 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
Echinococcus granulosus Transcription factor JmjC domain containing 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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus chromobox protein 1 0.0084 0.0134 0.0328
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0077 0.0116 0.0293
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0084 0.0134 0.0329
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0047 0.0092
Loa Loa (eye worm) hypothetical protein 0.0049 0.0047 0.0106
Brugia malayi Bromodomain containing protein 0.0038 0.002 0.0053
Plasmodium vivax histone deacetylase 2, putative 0.1248 0.3015 0.8122
Brugia malayi Disco-interacting protein 2 homolog 0.0038 0.0021 0.0056
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0104 0.0247
Echinococcus multilocularis cpg binding protein 0.0036 0.0014 0.0003
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0077 0.0116 0.0212
Schistosoma mansoni family C19 non-peptidase homologue (C19 family) 0.0077 0.0116 0.0292
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0077 0.0116 0.0212
Trichomonas vaginalis histone deacetylase, putative 0.1528 0.371 1
Trichomonas vaginalis histone deacetylase, putative 0.1528 0.371 1
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0052 0.0053 0.0039
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0104 0.0247
Schistosoma mansoni histone deacetylase hda2 0.0638 0.1505 0.4044
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0046 0.0039 0.0071
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0077 0.0116 0.0293
Toxoplasma gondii histone deacetylase HDAC2 0.1528 0.371 1
Giardia lamblia UDP-glucose 4-epimerase 0.005 0.0049 0.0097
Brugia malayi histone deacetylase 11 0.0638 0.1505 0.4057
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0077 0.0116 0.0212
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0038 0.0021 0.0033
Plasmodium falciparum U4/U6.U5 tri-snRNP-associated protein 2, putative 0.0077 0.0116 0.0281
Trypanosoma brucei Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0077 0.0116 0.0212
Onchocerca volvulus 0.0038 0.0021 0.0083
Echinococcus granulosus histone deacetylase 6 0.1325 0.3206 0.8638
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0042 0.0227
Schistosoma mansoni carbonic anhydrase 0.0277 0.0612 0.163
Onchocerca volvulus Histone deacetylase 10 homolog 0.0638 0.1505 1
Schistosoma mansoni hypothetical protein 0.0277 0.0612 0.163
Schistosoma mansoni histone deacetylase hda2 0.1325 0.3206 0.864
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0037 0.0077
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0465 0.1076 0.2901
Schistosoma mansoni carbonic anhydrase-related 0.0277 0.0612 0.163
Toxoplasma gondii histone deacetylase HDAC4 0.0638 0.1505 0.4037
Echinococcus multilocularis disco interacting protein 2 0.0038 0.0021 0.0021
Echinococcus granulosus disco interacting protein 2 0.0038 0.0021 0.0021
Loa Loa (eye worm) histone deacetylase 3 0.1528 0.371 1
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0077 0.0116 0.0292
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0465 0.1076 0.2901
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0277 0.0612 0.163
Schistosoma mansoni UDP-glucose 4-epimerase 0.0052 0.0053 0.0121
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0052 0.0053 0.0121
Trypanosoma cruzi histone deacetylase, putative 0.0638 0.1505 0.3994
Echinococcus granulosus carbonic anhydrase II 0.0465 0.1076 0.2877
Schistosoma mansoni lipoxygenase 0.0142 0.0278 0.0729
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0052 0.0053 0.0121
Trypanosoma cruzi histone deacetylase, putative 0.1248 0.3015 0.8109
Loa Loa (eye worm) hypothetical protein 0.0085 0.0137 0.0348
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1528 0.371 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0277 0.0612 0.1648
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0077 0.0116 0.0293
Onchocerca volvulus Uncharacterized RING finger protein homolog 0.0077 0.0116 0.0723
Giardia lamblia Histone deacetylase 0.1528 0.371 1
Echinococcus multilocularis histone deacetylase 6 0.1248 0.3015 0.8122
Schistosoma mansoni histone deacetylase 0.1528 0.371 1
Trypanosoma brucei UDP-galactose 4-epimerase 0.005 0.0049 0.0027
Toxoplasma gondii UDP-glucose 4-epimerase 0.0052 0.0053 0.0109
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 14 0.0077 0.0116 0.0281
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0077 0.0116 0.0314
Echinococcus granulosus histone deacetylase 6 0.1248 0.3015 0.8122
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0077 0.0116 0.0314
Brugia malayi Histone deacetylase family protein 0.1248 0.3015 0.8128
Echinococcus granulosus histone deacetylase 7 0.1248 0.3015 0.8122
Brugia malayi PHD-finger family protein 0.0035 0.0013 0.0034
Leishmania major carbonic anhydrase-like protein 0.0465 0.1076 0.2826
Echinococcus multilocularis BRCA1 associated protein 0.0077 0.0116 0.0281
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0052 0.0053 0.0039
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0077 0.0116 0.0292
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 22 0.0077 0.0116 0.0281
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0077 0.0116 0.0212
Schistosoma mansoni cpg binding protein 0.0036 0.0014 0.0015
Trypanosoma cruzi histone deacetylase, putative 0.1248 0.3015 0.8109
Echinococcus multilocularis UDP glucose 4 epimerase 0.0052 0.0053 0.0109
Plasmodium vivax histone deacetylase, putative 0.1248 0.3015 0.8122
Echinococcus multilocularis histone deacetylase 7 0.1248 0.3015 0.8122
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0046 0.0039 0.0105
Trypanosoma cruzi histone deacetylase, putative 0.1248 0.3015 0.8109
Plasmodium vivax histone deacetylase, putative 0.0638 0.1505 0.4037
Trypanosoma brucei histone deacetylase 3 0.1248 0.3015 0.8109
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0134 0.0339
Trichomonas vaginalis histone deacetylase, putative 0.1528 0.371 1
Plasmodium vivax histone deacetylase 1, putative 0.1528 0.371 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0046 0.0039 0.0083
Loa Loa (eye worm) histone deacetylase 1 0.1528 0.371 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0465 0.1076 0.2826
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0106 0.0263
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0051 0.0116
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0033 0.0055
Leishmania major histone deacetylase, putative 0.1528 0.371 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0042 0.0114
Echinococcus granulosus histone deacetylase 3 0.1528 0.371 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0134 0.0339
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1989 0.5351
Leishmania major histone deacetylase, putative 0.1248 0.3015 0.8109
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0211 0.0536
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.0278 0.0718
Echinococcus granulosus chromobox protein 1 0.0084 0.0134 0.0328
Trypanosoma brucei histone deacetylase 1 0.1528 0.371 1
Loa Loa (eye worm) histone deacetylase 11 0.0638 0.1505 0.4044
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0046 0.0039 0.0071
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0152 0.0389
Schistosoma mansoni chromobox protein 0.0084 0.0134 0.0339
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0277 0.0612 0.1648
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0134 0.0339
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.0278 0.0718
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0052 0.0053 0.0039
Echinococcus multilocularis histone deacetylase 6 0.1248 0.3015 0.8122
Echinococcus multilocularis histone deacetylase 6 0.1325 0.3206 0.8638
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0037 0.0077
Brugia malayi UDP galactose 4'-epimerase 0.0052 0.0053 0.0143
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0077 0.0116 0.0212
Toxoplasma gondii histone deacetylase HDAC5 0.0638 0.1505 0.4037
Echinococcus granulosus carbonic anhydrase 0.0277 0.0612 0.162
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0051 0.0287
Toxoplasma gondii histone deacetylase HDAC3 0.1528 0.371 1
Loa Loa (eye worm) hypothetical protein 0.1528 0.371 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0013 0.0012
Plasmodium falciparum carbonic anhydrase 0.0277 0.0612 0.162
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0042 0.0092
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1989 0.5345
Leishmania major udp-glc 4-epimerase, putative 0.005 0.0049 0.0027
Brugia malayi Bromodomain containing protein 0.0046 0.004 0.0108
Echinococcus granulosus histone deacetylase 8 0.0638 0.1505 0.4037
Trichomonas vaginalis histone deacetylase, putative 0.1528 0.371 1
Schistosoma mansoni ubiquitin-specific peptidase 44 (C19 family) 0.0077 0.0116 0.0292
Echinococcus multilocularis carbonic anhydrase II 0.0465 0.1076 0.2877
Echinococcus multilocularis histone deacetylase 1 0.1528 0.371 1
Trypanosoma brucei histone deacetylase 2 0.0638 0.1505 0.3994
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.4023 0.9887 1
Trichomonas vaginalis histone deacetylase, putative 0.1528 0.371 1
Toxoplasma gondii hypothetical protein 0.0084 0.0134 0.0329
Brugia malayi jmjC domain containing protein 0.0045 0.0037 0.0099
Brugia malayi Heterochromatin protein 1 0.0084 0.0134 0.0361
Trypanosoma cruzi histone deacetylase, putative 0.0638 0.1505 0.3994
Loa Loa (eye worm) BRCA1-associated protein 2 containing protein 0.0077 0.0116 0.0292
Echinococcus multilocularis carbonic anhydrase 0.0277 0.0612 0.162
Trypanosoma cruzi Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0077 0.0116 0.0212
Echinococcus granulosus cpg binding protein 0.0036 0.0014 0.0003
Toxoplasma gondii ubiquitin specific protease 39 isoform 2, putative 0.0077 0.0116 0.0281
Schistosoma mansoni brca1-associated protein (brap2) 0.0077 0.0116 0.0292
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0465 0.1076 0.2885
Loa Loa (eye worm) hypothetical protein 0.061 0.1436 0.3857
Brugia malayi jmjC domain containing protein 0.0115 0.0211 0.0569
Trichomonas vaginalis BRCA1-associated protein, putative 0.0077 0.0116 0.0293
Schistosoma mansoni carbonic anhydrase-related 0.0277 0.0612 0.163
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0037 0.0065
Echinococcus multilocularis u4:u6.u5 tri snrnp associated protein 2 0.0077 0.0116 0.0281
Echinococcus multilocularis histone deacetylase 0.1248 0.3015 0.8122
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0052 0.0053 0.0121
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0046 0.0039 0.0083
Leishmania major histone deacetylase, putative 0.1528 0.371 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0031 0.005
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase 5, putative 0.0077 0.0116 0.0212
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0077 0.0116 0.0314
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 22 0.0077 0.0116 0.0281
Loa Loa (eye worm) hypothetical protein 0.0046 0.004 0.0086
Schistosoma mansoni brca1-associated protein (brap2) 0.0077 0.0116 0.0292
Trypanosoma brucei Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0077 0.0116 0.0212
Schistosoma mansoni bromodomain containing protein 0.0076 0.0115 0.0288
Echinococcus multilocularis carbonic anhydrase 0.0277 0.0612 0.162
Echinococcus multilocularis histone deacetylase 3 0.1528 0.371 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0277 0.0612 0.1648
Schistosoma mansoni chromobox protein 0.0084 0.0134 0.0339
Loa Loa (eye worm) hypothetical protein 0.006 0.0075 0.018
Giardia lamblia Hypothetical protein 0.0077 0.0116 0.0281
Toxoplasma gondii UBA/TS-N domain-containing protein 0.0077 0.0116 0.0281
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0052 0.0053 0.0121
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0211 0.0536
Loa Loa (eye worm) hypothetical protein 0.0277 0.0612 0.163
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0277 0.0612 0.1648
Trypanosoma brucei histone deacetylase 4 0.1248 0.3015 0.8109
Loa Loa (eye worm) hypothetical protein 0.0867 0.2072 0.5575
Loa Loa (eye worm) hypothetical protein 0.0038 0.0021 0.0033
Loa Loa (eye worm) hypothetical protein 0.0687 0.1627 0.4373
Echinococcus multilocularis chromobox protein 1 0.0084 0.0134 0.0328
Loa Loa (eye worm) hypothetical protein 0.0047 0.0042 0.0092
Echinococcus granulosus u4:u6.u5 tri snrnp associated protein 2 0.0077 0.0116 0.0281
Trypanosoma cruzi histone deacetylase 1, putative 0.1528 0.371 1
Loa Loa (eye worm) hypothetical protein 0.0638 0.1505 0.4044
Echinococcus granulosus BRCA1 associated protein 0.0077 0.0116 0.0281
Toxoplasma gondii Zn-finger in ubiquitin-hydrolases domain-containing protein 0.0077 0.0116 0.0281
Brugia malayi histone deacetylase 1 (HD1) 0.1528 0.371 1
Trichomonas vaginalis brca1-associated protein, putative 0.0077 0.0116 0.0293
Brugia malayi histone deacetylase 3 (HD3) 0.1528 0.371 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0077 0.0116 0.0293
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0046 0.0039 0.0071
Schistosoma mansoni ubiquitin-specific peptidase 5 (C19 family) 0.0077 0.0116 0.0292
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1528 0.371 1
Schistosoma mansoni histone deacetylase 4 5 0.1248 0.3015 0.8124
Echinococcus multilocularis histone deacetylase 8 0.0638 0.1505 0.4037
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0077 0.0116 0.0212
Echinococcus granulosus UDP glucose 4 epimerase 0.0052 0.0053 0.0109
Trypanosoma cruzi histone deacetylase 1, putative 0.1528 0.371 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0077 0.0116 0.0212
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1528 0.371 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0053 0.0121
Loa Loa (eye worm) carbonic anhydrase 3 0.0465 0.1076 0.2885
Brugia malayi Histone deacetylase family protein 0.1248 0.3015 0.8128
Echinococcus granulosus carbonic anhydrase 0.0277 0.0612 0.162
Brugia malayi BRCA1-associated protein 2 containing protein 0.0077 0.0116 0.0314
Entamoeba histolytica histone deacetylase, putative 0.1528 0.371 1
Trichomonas vaginalis histone deacetylase, putative 0.1528 0.371 1
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0046 0.0039 0.0071
Trypanosoma brucei histone deacetylase, putative 0.1248 0.3015 0.8109
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0277 0.0612 0.1648
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0046 0.0039 0.0071
Onchocerca volvulus Alhambra homolog 0.0035 0.0013 0.003
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1989 0.5345
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.4069 1 1
Plasmodium falciparum histone deacetylase, putative 0.1248 0.3015 0.8122
Schistosoma mansoni histone deacetylase 0.1528 0.371 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0465 0.1076 0.2826
Echinococcus multilocularis peregrin 0.0038 0.002 0.0019
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase 13, putative 0.0077 0.0116 0.0281
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0077 0.0116 0.0292
Toxoplasma gondii histone deacetylase HDAC1 0.1248 0.3015 0.8122
Echinococcus granulosus histone deacetylase 1 0.1528 0.371 1
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0046 0.0039 0.0083
Schistosoma mansoni lipoxygenase 0.01 0.0172 0.0443
Schistosoma mansoni histone deacetylase 1 2 3 0.0638 0.1505 0.4044
Onchocerca volvulus 0.0037 0.0017 0.0059
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0033 0.0055
Plasmodium vivax ubiquitin carboxyl-terminal hydrolase 13, putative 0.0077 0.0116 0.0281
Loa Loa (eye worm) hypothetical protein 0.0277 0.0612 0.163
Plasmodium falciparum histone deacetylase 2 0.1248 0.3015 0.8122
Loa Loa (eye worm) histone deacetylase 0.1248 0.3015 0.8124
Brugia malayi Bromodomain containing protein 0.0091 0.015 0.0404
Echinococcus granulosus carbonic anhydrase 0.0277 0.0612 0.162
Echinococcus multilocularis chromobox protein 1 0.0084 0.0134 0.0328
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0051 0.0116
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0077 0.0116 0.0212
Leishmania major histone deacetylase, putative 0.1248 0.3015 0.8109
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0116 0.0281
Plasmodium falciparum histone deacetylase 1 0.1528 0.371 1
Plasmodium vivax U4/U6.U5 tri-snRNP-associated protein 2, putative 0.0077 0.0116 0.0281
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 5 0.0077 0.0116 0.0281
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0046 0.0039 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0042 0.0092
Leishmania major hypothetical protein, conserved 0.0077 0.0116 0.0212
Echinococcus granulosus histone deacetylase 0.1248 0.3015 0.8122
Brugia malayi CXXC zinc finger family protein 0.0033 0.0008 0.0022
Echinococcus multilocularis carbonic anhydrase 0.0277 0.0612 0.162
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0465 0.1076 0.2885
Schistosoma mansoni histone deacetylase 4 5 0.1248 0.3015 0.8124
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0077 0.0116 0.0293
Toxoplasma gondii hypothetical protein 0.0277 0.0612 0.162
Loa Loa (eye worm) histone deacetylase 7A 0.1248 0.3015 0.8124
Echinococcus granulosus peregrin 0.0038 0.002 0.0019
Schistosoma mansoni hypothetical protein 0.0035 0.0013 0.0012
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0465 0.1076 0.2885
Loa Loa (eye worm) hypothetical protein 0.0037 0.0017 0.0024
Loa Loa (eye worm) ubiquitin specific peptidase 39 0.0077 0.0116 0.0292
Loa Loa (eye worm) hypothetical protein 0.0035 0.0013 0.0012
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0013 0.0012
Schistosoma mansoni cpg binding protein 0.0036 0.0014 0.0015
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0465 0.1076 0.2826
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0047 0.0092
Echinococcus granulosus histone deacetylase 6 0.1248 0.3015 0.8122
Leishmania major hypothetical protein, conserved 0.0077 0.0116 0.0212
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0037 0.0077
Schistosoma mansoni carbonic anhydrase-related 0.0277 0.0612 0.163
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase, putative 0.0077 0.0116 0.0281
Brugia malayi Histone deacetylase 1 0.1528 0.371 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 11.6891 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) 12.5893 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) 12.5893 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 (binding) = 15.8489 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] 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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