Detailed information for compound 1875489

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 447.51 | Formula: C23H21N5O3S
  • H donors: 0 H acceptors: 3 LogP: 2.61 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccs1)CCCOC(C)C)nc1n(c2=O)cccc1
  • InChi: 1S/C23H21N5O3S/c1-15(2)31-11-6-10-28-20(26-22(29)18-7-5-12-32-18)16(14-24)13-17-21(28)25-19-8-3-4-9-27(19)23(17)30/h3-5,7-9,12-13,15H,6,10-11H2,1-2H3/b26-20+
  • InChiKey: IILJCBGLOCWRNW-LHLOQNFPSA-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 glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis lysosomal alpha glucosidase 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 japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative 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
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
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 Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans hypothetical protein 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
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
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 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 300 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
EC50 (binding) > 300 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
Potency (functional) 1.6511 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) 1.8349 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2944 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 (binding) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 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) 11.5821 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) = 19.9526 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 to Find Inhibitors of Pin1. (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 SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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 for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 39.8107 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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