Detailed information for compound 1418845

Basic information

Technical information
  • TDR Targets ID: 1418845
  • Name: ethyl 2-[[2-[[5-[[(4-methoxyphenyl)amino]meth yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acet yl]amino]-4,5-dimethylthiophene-3-carboxylate
  • MW: 489.611 | Formula: C22H27N5O4S2
  • H donors: 2 H acceptors: 4 LogP: 4.21 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(NC(=O)CSc2nnc(n2C)CNc2ccc(cc2)OC)sc(c1C)C
  • InChi: 1S/C22H27N5O4S2/c1-6-31-21(29)19-13(2)14(3)33-20(19)24-18(28)12-32-22-26-25-17(27(22)4)11-23-15-7-9-16(30-5)10-8-15/h7-10,23H,6,11-12H2,1-5H3,(H,24,28)
  • InChiKey: SZBFGGRLOSQIKG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[[2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate
  • 2-[[2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
  • 2-[[2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
  • ethyl 2-[2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate
  • 2-(2-{5-[(4-Methoxy-phenylamino)-methyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
  • MLS000888657
  • ASN 02255443
  • SMR000001697
  • MLS000071646

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) heterochromatin protein 1 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 Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0041 0.0353 0.0353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0524 0.0524
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0395 0.0377
Schistosoma mansoni chromobox protein 0.0084 0.0876 0.0876
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0524 0.0506
Brugia malayi Associated with TFs and helicases family protein 0.0014 0.0019 0.00000000042592
Schistosoma mansoni chromobox protein 0.0014 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0067
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0019 0.00000000021136
Entamoeba histolytica hypothetical protein 0.0014 0.0019 0.0484
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0395 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.0876 0.0859
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0019 0.00000000012041
Mycobacterium tuberculosis Probable aminotransferase 0.0481 0.5705 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0083 0.0064
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0014 0.0019 0.00000000012041
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0143 0.0218
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0353 0.1182
Brugia malayi Pax transcription factor protein 2 0.0245 0.2841 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0395 0.0377
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0019 0.00000000021136
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0019 0.00000000012041
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0395 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0083 0.0064
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0395 1
Echinococcus granulosus chromobox protein 1 0.0084 0.0876 0.0859
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0395 0.0662
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0014 0.0019 0.028
Schistosoma mansoni hypothetical protein 0.0014 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.006 0.0585 0.2058
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0395 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0068 0.0684 0.0684
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0067
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0014 0.0019 0.028
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0524 0.179
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0019 0.0019
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0019 0.028
Loa Loa (eye worm) RecQ helicase 0.0024 0.0143 0.0503
Plasmodium vivax ornithine aminotransferase, putative 0.0068 0.0684 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0469 0.0792
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0014 0.0019 0.00000000012041
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0426 0.1441
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0876 0.1507
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0019 0.0484
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0019 0.0019
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0395 0.0377
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0585 0.2004
Schistosoma mansoni chromobox protein 0.0084 0.0876 0.0876
Loa Loa (eye worm) hypothetical protein 0.0037 0.0302 0.1062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0524 0.0506
Echinococcus granulosus chromobox protein 1 0.0084 0.0876 0.0859
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0143 0.0218
Loa Loa (eye worm) hypothetical protein 0.0019 0.0083 0.0294
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0395 0.0377
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0143 0.0439
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0143 0.209
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0068 0.0684 0.5
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0014 0.0019 0.028
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0143 0.3615
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 0.0143 0.0124
Echinococcus multilocularis ornithine aminotransferase 0.0068 0.0684 0.0666
Entamoeba histolytica hypothetical protein 0.0014 0.0019 0.0484
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0019 0.00000000021136
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0019 0.00000000021136
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0876 0.1507
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0083 0.0228
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0143 0.0439
Brugia malayi CHD4 protein 0.0014 0.0019 0.00000000042592
Schistosoma mansoni DNA helicase recq5 0.0024 0.0143 0.0143
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0083 0.0064
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0019 0.00000000021136
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0083 0.0294
Echinococcus granulosus GPCR family 2 0.0019 0.0083 0.0064
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0014 0.0019 0.00000000042592
Brugia malayi chromobox protein homolog 3 0.0047 0.0426 0.1441
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0143 0.209
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0019 0.00000000021136
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 0.0143 0.0124
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0395 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0067
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.0143 0.0503
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0068 0.0684 0.2355
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0019 0.00000000021136
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0585 0.2004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0524 0.0524
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0024 0.0143 0.1862
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0524 0.0506
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0019 0.0484
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0068 0.0684 0.5
Treponema pallidum ATP-dependent DNA helicase 0.0012 0 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0019 0.00000000021136
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0481 0.5705 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0068 0.0684 1
Plasmodium falciparum ornithine aminotransferase 0.0068 0.0684 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.0876 0.0859
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0395 0.0662
Onchocerca volvulus 0.0037 0.0302 0.1001
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0143 0.0218
Loa Loa (eye worm) helicase 0.0014 0.0019 0.0067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0524 0.0524
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0524 0.0506
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0041 0.0353 0.1241
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0395 0.1333
Echinococcus granulosus bloom syndrome protein 0.0024 0.0143 0.0124
Loa Loa (eye worm) hypothetical protein 0.0024 0.0143 0.0503
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0395 0.0395
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Plasmodium vivax heterochromatin protein 1, putative 0.0014 0.0019 0.028
Entamoeba histolytica hypothetical protein 0.0014 0.0019 0.0484
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0143 0.1862
Schistosoma mansoni hypothetical protein 0.0019 0.0083 0.0083
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0019 0.00000000021136
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0019 0.00000000021136
Echinococcus granulosus Chromo domain 0.0014 0.0019 0.00000000012041
Schistosoma mansoni hypothetical protein 0.0019 0.0083 0.0083
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0019 0.028
Brugia malayi Heterochromatin protein 1 0.0084 0.0876 0.3037
Schistosoma mansoni hypothetical protein 0.0019 0.0083 0.0083
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0143 0.0124
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0395 0.0395
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0019 0.00000000021136
Schistosoma mansoni hypothetical protein 0.0019 0.0083 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0426 0.0715
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0019 0.0484
Loa Loa (eye worm) CHromoDomain protein family member 0.0014 0.0019 0.0067
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0481 0.5705 1
Mycobacterium ulcerans hypothetical protein 0.0481 0.5705 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0395 0.0662
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0481 0.5705 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0067
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0469 0.0792
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0395 0.0377
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0585 0.2058
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0395 0.0377
Loa Loa (eye worm) hypothetical protein 0.0045 0.0395 0.1391
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 0.0143 0.0124
Echinococcus multilocularis Chromo domain 0.0014 0.0019 0.00000000012041
Loa Loa (eye worm) hypothetical protein 0.0047 0.0426 0.1499
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0143 0.0439
Schistosoma mansoni chromobox protein 0.0014 0.0019 0.0019
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0019 0.0019
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0481 0.5705 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0469 0.1596
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 0.0143 0.0124
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0258 0.042
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0524 0.1845
Echinococcus multilocularis ornithine aminotransferase 0.0068 0.0684 0.0666
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0083 0.0228
Echinococcus granulosus ornithine aminotransferase 0.0068 0.0684 0.0666
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0083 0.0064
Onchocerca volvulus 0.0245 0.2841 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0426 0.0715
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0395 1
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0014 0.0019 0.0000000018085
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0019 0.00000000021136
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0019 0.0019
Echinococcus multilocularis Aminotransferase class III 0.0068 0.0684 0.0666
Schistosoma mansoni DNA helicase recq1 0.0024 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0067
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0258 0.042
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0067
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0019 0.00000000021136
Echinococcus granulosus Aminotransferase class III 0.0068 0.0684 0.0666
Loa Loa (eye worm) pax transcription factor protein 2 0.0245 0.2841 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0067
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0083 0.0064
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0876 0.3084

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 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) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 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 (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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