Detailed information for compound 1857281

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 433.483 | Formula: C22H19N5O3S
  • H donors: 0 H acceptors: 3 LogP: 2.17 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCCn1/c(=N/C(=O)c2cccs2)/c(C#N)cc2c1nc1ccccn1c2=O
  • InChi: 1S/C22H19N5O3S/c1-2-30-11-6-10-27-19(25-21(28)17-7-5-12-31-17)15(14-23)13-16-20(27)24-18-8-3-4-9-26(18)22(16)29/h3-5,7-9,12-13H,2,6,10-11H2,1H3/b25-19+
  • InChiKey: CNDMTAXTDFSRAZ-NCELDCMTSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 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
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, 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
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Candida albicans DNA helicase 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
Schistosoma japonicum Bloom syndrome protein homolog, 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
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) 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
Plasmodium yoelii ATP-dependent DNA helicase recQ-related 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
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 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
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative 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 muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni DNA helicase recq5 0.0012 0.0018 0.0043
Loa Loa (eye worm) hypothetical protein 0.0019 0.0091 0.0175
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0091 0.0161
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.0311 0.0702
Schistosoma mansoni hypothetical protein 0.0019 0.0091 0.0217
Loa Loa (eye worm) hypothetical protein 0.018 0.1756 0.4166
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0516 0.1193
Echinococcus multilocularis acetylcholinesterase 0.0416 0.419 0.419
Brugia malayi Carboxylesterase family protein 0.007 0.062 0.1444
Echinococcus multilocularis neuroligin 0.007 0.062 0.062
Echinococcus granulosus acetylcholinesterase 0.0416 0.419 0.7407
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.5657 0.5657
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.0746 0.1779
Onchocerca volvulus 0.0114 0.1069 1
Loa Loa (eye worm) hypothetical protein 0.007 0.062 0.1444
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0345 0.4626
Schistosoma mansoni gliotactin 0.007 0.062 0.148
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.007 0.062 0.148
Toxoplasma gondii melibiase subfamily protein 0.0124 0.1171 1
Loa Loa (eye worm) hypothetical protein 0.007 0.062 0.1444
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0345 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0345 0.4626
Brugia malayi Carboxylesterase family protein 0.007 0.062 0.1444
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0094 0.0663
Echinococcus multilocularis BC026374 protein (S09 family) 0.007 0.062 0.062
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0054 0.1027
Loa Loa (eye worm) carboxylesterase 0.007 0.062 0.1444
Schistosoma mansoni BC026374 protein (S09 family) 0.007 0.062 0.148
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.0301 0.2454
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0091 0.0091
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1171 0.2794
Loa Loa (eye worm) hypothetical protein 0.0146 0.14 0.3313
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0345 0.4626
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0016 0.0062 0.0274
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0345 1
Onchocerca volvulus 0.007 0.062 0.5545
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0062 0.0834
Loa Loa (eye worm) hypothetical protein 0.007 0.062 0.1444
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0345 0.4626
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0054 0.1027
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0311 0.4166
Mycobacterium tuberculosis Carboxylesterase LipT 0.007 0.062 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0345 0.0784
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0157 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0091 0.0091
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0062 0.0834
Loa Loa (eye worm) carboxylesterase 0.0416 0.419 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.007 0.062 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0516 0.1193
Schistosoma mansoni DNA helicase recq1 0.0012 0.0018 0.0043
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0091 0.0091
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.0746 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0091 0.0175
Loa Loa (eye worm) hypothetical protein 0.007 0.062 0.1444
Echinococcus granulosus bloom syndrome protein 0.0029 0.0194 0.0342
Schistosoma mansoni alpha glucosidase 0.0044 0.0345 0.0823
Loa Loa (eye worm) acetylcholinesterase 1 0.0416 0.419 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0018 0.0018
Brugia malayi hypothetical protein 0.007 0.062 0.1444
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.5657 1
Leishmania major glycosyl hydrolase-like protein 0.0016 0.0062 0.1273
Loa Loa (eye worm) hypothetical protein 0.0082 0.0746 0.1744
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0516 0.1193
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0091 0.0161
Echinococcus granulosus neuroligin 0.007 0.062 0.1096
Echinococcus multilocularis geminin 0.0205 0.2006 0.2006
Echinococcus granulosus acetylcholinesterase 0.0416 0.419 0.7407
Trichomonas vaginalis spcc417.12 protein, putative 0.007 0.062 0.8319
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.1171 0.1171
Echinococcus granulosus para nitrobenzyl esterase 0.007 0.062 0.1096
Schistosoma mansoni acetylcholinesterase 0.007 0.062 0.148
Brugia malayi Carboxylesterase family protein 0.0416 0.419 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0018 0.0032
Trypanosoma brucei glucosidase, putative 0.0044 0.0345 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1925 0.3402
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.007 0.062 0.148
Echinococcus multilocularis expressed protein 0.004 0.0311 0.0311
Schistosoma mansoni hypothetical protein 0.0019 0.0091 0.0217
Echinococcus granulosus carboxylesterase 5A 0.0416 0.419 0.7407
Loa Loa (eye worm) RecQ helicase 0.0029 0.0194 0.0421
Schistosoma mansoni hypothetical protein 0.0019 0.0091 0.0217
Echinococcus granulosus BC026374 protein S09 family 0.007 0.062 0.1096
Loa Loa (eye worm) hypothetical protein 0.0041 0.0319 0.0722
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.0746 0.1779
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0062 0.0834
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1925 0.1925
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1925 0.457
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0194 0.2595
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0194 0.0421
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0194 0.0194
Echinococcus multilocularis para nitrobenzyl esterase 0.007 0.062 0.062
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.007 0.062 0.8319
Loa Loa (eye worm) hypothetical protein 0.007 0.062 0.1444
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0345 1
Schistosoma mansoni hypothetical protein 0.0041 0.0319 0.0761
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0062 0.0834
Echinococcus granulosus GPCR family 2 0.0019 0.0091 0.0161
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0345 0.2837
Schistosoma mansoni alpha-glucosidase 0.0169 0.1642 0.3919
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0054 0.1027
Mycobacterium ulcerans carboxylesterase, LipT 0.007 0.062 1
Onchocerca volvulus 0.007 0.062 0.5545
Echinococcus multilocularis muscleblind protein 1 0.018 0.1756 0.1756
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0018 0.0018
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0345 0.4626
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0018 0.0000000004878
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0319 0.0722
Echinococcus granulosus neuropeptide s receptor 0.0558 0.5657 1
Trichomonas vaginalis rotamase, putative 0.004 0.0311 0.4166
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1171 0.2794
Echinococcus granulosus geminin 0.0205 0.2006 0.3546
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0194 0.2595
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0311 0.0702
Brugia malayi Melibiase family protein 0.0082 0.0746 0.1744
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0345 0.061
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0018 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0345 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0131 0.0312
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.0301 0.8639
Toxoplasma gondii Alpha-galactosidase 0.0018 0.0075 0.0496
Echinococcus granulosus muscleblind protein 0.018 0.1756 0.3104
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0012 0.0021 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1171 0.2794
Echinococcus granulosus expressed protein 0.004 0.0311 0.0549
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0345 0.0345
Schistosoma mansoni hypothetical protein 0.0205 0.2006 0.4787
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0091 0.0175
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.0062 0.1273
Loa Loa (eye worm) hypothetical protein 0.018 0.1756 0.4166
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0345 0.4626
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0345 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0516 0.1193
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0062 0.0834
Treponema pallidum bacterioferrin (TpF1) 0.001 0 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0091 0.0217
Echinococcus multilocularis carboxylesterase 5A 0.0416 0.419 0.419
Loa Loa (eye worm) hypothetical protein 0.007 0.062 0.1444
Brugia malayi Carboxylesterase family protein 0.007 0.062 0.1444
Echinococcus granulosus family S9 non peptidase ue S09 family 0.007 0.062 0.1096
Loa Loa (eye worm) hypothetical protein 0.0416 0.419 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.007 0.062 0.148
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0097 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1925 0.1925
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0062 0.0106
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1925 0.457
Brugia malayi Muscleblind-like protein 0.018 0.1756 0.4166
Brugia malayi Carboxylesterase family protein 0.0416 0.419 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0062 0.1273
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0345 0.4626
Onchocerca volvulus 0.007 0.062 0.5545
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0345 0.4626
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0345 0.4626
Brugia malayi Carboxylesterase family protein 0.007 0.062 0.1444
Onchocerca volvulus 0.007 0.062 0.5545
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.5657 0.5657
Trichomonas vaginalis rotamase, putative 0.0039 0.0301 0.4035
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0062 0.0834
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0018 0.0075 0.0179
Loa Loa (eye worm) carboxylesterase 0.007 0.062 0.1444
Trichomonas vaginalis DNA helicase recq, putative 0.0015 0.0054 0.0727
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0062 0.0834
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.1171 0.207
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0416 0.419 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0062 0.1273
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0018 0.0032
Loa Loa (eye worm) hypothetical protein 0.0016 0.0062 0.0106
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0012 0.0021 0.0027
Onchocerca volvulus 0.007 0.062 0.5545
Loa Loa (eye worm) hypothetical protein 0.007 0.062 0.1444
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.007 0.062 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.0301 0.8483
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.007 0.062 0.062
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0301 0.8639
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.0301 0.8639
Schistosoma mansoni rotamase 0.004 0.0311 0.0741
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0091 0.0175
Echinococcus multilocularis muscleblind protein 0.018 0.1756 0.1756
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0345 0.0784
Loa Loa (eye worm) hypothetical protein 0.0416 0.419 1
Schistosoma mansoni hypothetical protein 0.0205 0.2006 0.4787
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.1171 0.1171
Echinococcus multilocularis acetylcholinesterase 0.0416 0.419 0.419
Schistosoma mansoni alpha-glucosidase 0.0169 0.1642 0.3919
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1171 0.2794
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0301 0.8639
Trichomonas vaginalis maltase-glucoamylase, putative 0.0016 0.0062 0.0834
Schistosoma mansoni neuroligin 3 (S09 family) 0.007 0.062 0.148

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) > 500 uM PUBCHEM_BIOASSAY: Inhibitors of Mycobacterium tuberculosis UDP-galactopyranose mutase (UGM) enzyme Measured in Biochemical System Using Plate Reader - 2105-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504439] ChEMBL. No reference
EC50 (binding) = 28.894 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 40.003 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Max_Activity_Concent (functional) 12 uM PubChem BioAssay. Thermal shift assay to identify compound binding to Kelch domain of Keap1 protein Measured in Biochemical System Using RT-PCR - 2119-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 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 (binding) 5.0119 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 10.4179 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) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 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) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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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