Detailed information for compound 1396552

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 469.514 | Formula: C22H23N5O5S
  • H donors: 1 H acceptors: 3 LogP: 2.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCc1cc(cc(c1O)OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1
  • InChi: 1S/C22H23N5O5S/c1-3-4-14-9-13(11-16(31-2)19(14)29)10-15-20(23)27-22(24-21(15)30)33-17(25-27)12-18(28)26-5-7-32-8-6-26/h3,9-11,23,29H,1,4-8,12H2,2H3/b15-10+,23-20?
  • InChiKey: HTBORDKFRLPJDH-LZGJWPFVSA-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 lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens corticotropin releasing hormone receptor 2 No references
Homo sapiens corticotropin releasing hormone binding protein No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis ATP dependent DNA helicase Q5 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
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative 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
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 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
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) 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
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Plasmodium yoelii ATP-dependent DNA helicase recQ-related 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, 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
Trichomonas vaginalis DNA helicase recq, putative 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
Echinococcus multilocularis bloom syndrome protein 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family 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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium yoelii ATP-dependent DNA helicase-related 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
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium falciparum ADP-dependent DNA helicase RecQ 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium falciparum ATP-dependent DNA helicase Q1 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
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein 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 muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Neospora caninum hypothetical 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Treponema pallidum ATP-dependent DNA helicase 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi ATP-dependent DNA helicase, RecQ family 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
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 2 438 aa 383 aa 26.1 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus neurogenic locus protein delta 0.0009 0.009 0.0016
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Schistosoma mansoni smad 0.001 0.0099 0.0099
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0044
Brugia malayi EGF-like domain containing protein 0.0009 0.009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Brugia malayi EGF-like domain containing protein 0.0009 0.009 0.0164
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0419 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0648 0.0578
Loa Loa (eye worm) RecQ helicase 0.0029 0.0491 0.0982
Brugia malayi Delta serrate ligand family protein 0.0009 0.009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Brugia malayi Calcium binding EGF domain containing protein 0.0009 0.009 0.0164
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0787 0.0787
Trichomonas vaginalis esterase, putative 0.0043 0.0787 0.1032
Loa Loa (eye worm) blistered cuticle protein 3 0.0072 0.1381 0.2795
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.1381 0.2795
Brugia malayi notch-like transmembrane receptor 0.0009 0.009 0.0164
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0288 0.0215
Schistosoma mansoni hypothetical protein 0.0009 0.009 0.009
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0288 0.0567
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0143 0.0984
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0608 0.1219
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Brugia malayi EGF-like domain containing protein 0.0009 0.009 0.0164
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0294 0.2226
Schistosoma mansoni DNA helicase recq5 0.0012 0.0143 0.0143
Brugia malayi Animal haem peroxidase family protein 0.0072 0.1381 0.2795
Echinococcus granulosus fibropellin Ia 0.0009 0.009 0.0016
Schistosoma mansoni laminin gamma-3 chain 0.0009 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7117 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Echinococcus multilocularis neurogenic locus protein delta 0.0009 0.009 0.0016
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0099 0.0183
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7117 1
Loa Loa (eye worm) hypothetical protein 0.018 0.3587 0.7291
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Schistosoma mansoni hypothetical protein 0.0009 0.009 0.009
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0115 0.0215
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.1381 0.2795
Leishmania major hypothetical protein, conserved 0.0043 0.0787 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0023 0.0028
Echinococcus granulosus Smad4 0.001 0.0099 0.0025
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.4075 0.4031
Entamoeba histolytica recQ family DNA helicase 0.0006 0.0023 0.0007
Echinococcus multilocularis peroxidasin 0.0072 0.1381 0.1316
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.1381 0.2795
Schistosoma mansoni cell polarity protein 0.0009 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0043 0.0787 0.1586
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0143 0.0272
Brugia malayi Cadherin domain containing protein 0.0009 0.009 0.0164
Onchocerca volvulus 0.0043 0.0787 0.5404
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.3424 0.5503
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Loa Loa (eye worm) notch protein 0.0009 0.009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Echinococcus granulosus protein jagged 2 0.0009 0.009 0.0016
Echinococcus granulosus neurogenic locus notch protein 0.0009 0.009 0.0016
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0099 0.0025
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Loa Loa (eye worm) beta-lactamase 0.0043 0.0787 0.1586
Schistosoma mansoni blooms syndrome DNA helicase 0.0006 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Schistosoma mansoni cpg binding protein 0.0035 0.0608 0.0608
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0787 0.1586
Schistosoma mansoni slit 0.0009 0.009 0.009
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0787 1
Schistosoma mansoni notch 0.0009 0.009 0.009
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0491 0.042
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0099 0.0025
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Brugia malayi hypothetical protein 0.0072 0.1381 0.2795
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0787 0.1586
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0288 0.0567
Brugia malayi Animal haem peroxidase family protein 0.0072 0.1381 0.2795
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7117 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.00000000014299
Echinococcus granulosus protein jagged 2 0.0009 0.009 0.0016
Brugia malayi Calcium binding EGF domain containing protein 0.0009 0.009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Brugia malayi Animal haem peroxidase family protein 0.0072 0.1381 0.2795
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Loa Loa (eye worm) hypothetical protein 0.0043 0.0787 0.1586
Brugia malayi beta-lactamase family protein 0.0043 0.0787 0.1586
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0143 0.0069
Echinococcus multilocularis neural cadherin 0.0009 0.009 0.0016
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0143 0.0076
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0143 0.0069
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7117 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0787 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0009 0.009 0.009
Brugia malayi GCC2 and GCC3 family protein 0.0009 0.009 0.0164
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.00000000014299
Echinococcus granulosus neural cadherin 0.0009 0.009 0.0016
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0143 0.0272
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.3424 1
Brugia malayi Cadherin domain containing protein 0.0009 0.009 0.0164
Onchocerca volvulus 0.0072 0.1381 1
Schistosoma mansoni peroxidasin 0.0072 0.1381 0.1381
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0288 0.0215
Echinococcus multilocularis neurogenic locus notch protein 0.0009 0.009 0.0016
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5579 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.074 0.1489
Echinococcus granulosus bloom syndrome protein 0.0029 0.0491 0.042
Loa Loa (eye worm) hypothetical protein 0.018 0.3587 0.7291
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0787 0.0787
Echinococcus multilocularis protein jagged 1 0.0009 0.009 0.0016
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.7117 1
Schistosoma mansoni notch 0.0009 0.009 0.009
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0787 0.1032
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.4075 0.4031
Brugia malayi EGF-like domain containing protein 0.0009 0.009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0012 0.0143 0.0272
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Echinococcus multilocularis notch 0.0009 0.009 0.0016
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Brugia malayi Animal haem peroxidase family protein 0.0072 0.1381 0.2795
Schistosoma mansoni notch 0.0009 0.009 0.009
Brugia malayi Calcium binding EGF domain containing protein 0.0009 0.009 0.0164
Echinococcus multilocularis neurogenic locus notch protein 0.0009 0.009 0.0016
Echinococcus multilocularis muscleblind protein 0.018 0.3587 0.3539
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1403 0.1403
Loa Loa (eye worm) hypothetical protein 0.0041 0.074 0.1489
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0491 0.0982
Loa Loa (eye worm) Notch2 0.0009 0.009 0.0164
Echinococcus multilocularis muscleblind protein 1 0.018 0.3587 0.3539
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.7117 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0608 0.1219
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Echinococcus multilocularis fat cadherin tumor suppressor 0.0009 0.009 0.0016
Toxoplasma gondii EGF family domain-containing protein 0.0009 0.009 0.0548
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0215 0.2511
Echinococcus granulosus GPCR family 2 0.0019 0.0288 0.0215
Echinococcus multilocularis slit 2 protein 0.0009 0.009 0.0016
Schistosoma mansoni hypothetical protein 0.0041 0.074 0.074
Schistosoma mansoni smad1 5 8 and 0.001 0.0099 0.0099
Onchocerca volvulus Dual oxidase homolog 0.0072 0.1381 1
Onchocerca volvulus 0.0035 0.0608 0.401
Echinococcus granulosus protein jagged 1 0.0009 0.009 0.0016
Loa Loa (eye worm) hypothetical protein 0.0146 0.2883 0.5855
Echinococcus multilocularis fibropellin Ia 0.0009 0.009 0.0016
Echinococcus multilocularis Smad4 0.001 0.0099 0.0025
Echinococcus granulosus slit 2 protein 0.0009 0.009 0.0016
Schistosoma mansoni hypothetical protein 0.0009 0.009 0.009
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1242 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Loa Loa (eye worm) hypothetical protein 0.0019 0.0288 0.0567
Echinococcus multilocularis smad 0.001 0.0099 0.0025
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0491 0.0612
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2847 0.5782
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0787 0.1032
Onchocerca volvulus Peroxidasin homolog 0.0072 0.1381 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0787 0.1032
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.00000000014299
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.00000000014299
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0288 0.0567
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.00000000014299
Loa Loa (eye worm) hypothetical protein 0.0043 0.0787 0.1586
Brugia malayi EGF-like domain containing protein 0.0009 0.009 0.0164
Schistosoma mansoni hypothetical protein 0.0009 0.009 0.009
Echinococcus granulosus cpg binding protein 0.0037 0.0648 0.0578
Onchocerca volvulus 0.0072 0.1381 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0299 0.3652
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Echinococcus multilocularis GPCR, family 2 0.0019 0.0288 0.0215
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0099 0.0099
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.7117 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0099 0.0025
Schistosoma mansoni smad1 5 8 and 0.001 0.0099 0.0099
Onchocerca volvulus Chorion peroxidase homolog 0.0072 0.1381 1
Onchocerca volvulus 0.0043 0.0787 0.5404
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0099 0.0025
Brugia malayi MH2 domain containing protein 0.001 0.0099 0.0183
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0099 0.0183
Echinococcus multilocularis neurogenic locus protein delta 0.0009 0.009 0.0016
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Onchocerca volvulus Peroxidase homolog 0.0072 0.1381 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Trichomonas vaginalis DNA helicase recq, putative 0.0015 0.0215 0.0221
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7117 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1129 0.2282
Schistosoma mansoni notch 0.0009 0.009 0.009
Echinococcus multilocularis protein jagged 1 0.0009 0.009 0.0016
Loa Loa (eye worm) hypothetical protein 0.0245 0.4917 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7117 1
Brugia malayi MH2 domain containing protein 0.0144 0.2847 0.5782
Loa Loa (eye worm) hypothetical protein 0.0043 0.0787 0.1586
Echinococcus multilocularis neurogenic locus notch protein 4 0.0009 0.009 0.0016
Brugia malayi MH2 domain containing protein 0.001 0.0099 0.0183
Brugia malayi Muscleblind-like protein 0.018 0.3587 0.7291
Schistosoma mansoni hypothetical protein 0.0009 0.009 0.009
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0044
Echinococcus granulosus notch 0.0009 0.009 0.0016
Loa Loa (eye worm) Smad1 0.001 0.0099 0.0183
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0143 0.0272
Onchocerca volvulus 0.0043 0.0787 0.5404
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0787 1
Echinococcus granulosus smad 0.001 0.0099 0.0025
Onchocerca volvulus Peroxidase homolog 0.0072 0.1381 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Schistosoma mansoni Smad4 0.001 0.0099 0.0099
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0787 0.0718
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0143 0.0069
Schistosoma mansoni smad1 5 8 and 0.001 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0787 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0787 0.1032
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0143 0.0069
Schistosoma mansoni hypothetical protein 0.0009 0.009 0.009
Echinococcus granulosus peroxidasin 0.0072 0.1381 0.1316
Brugia malayi beta-lactamase 0.0043 0.0787 0.1586
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0215 0.0277
Schistosoma mansoni peroxidasin 0.0072 0.1381 0.1381
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0787 0.1032
Brugia malayi EGF-like domain containing protein 0.0009 0.009 0.0164
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.7117 1
Schistosoma mansoni hypothetical protein 0.0009 0.009 0.009
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.1381 0.2795
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Echinococcus granulosus protein jagged 1 0.0009 0.009 0.0016
Toxoplasma gondii ABC1 family protein 0.0043 0.0787 0.6271
Loa Loa (eye worm) hypothetical protein 0.0043 0.0787 0.1586
Echinococcus granulosus delta-like protein 1 0.0009 0.009 0.0016
Echinococcus granulosus neurogenic locus notch protein 4 0.0009 0.009 0.0016
Brugia malayi Blistered cuticle protein 3 0.0072 0.1381 0.2795
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2847 0.5782
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0366 0.0366
Brugia malayi Muscle positioning protein 4 0.0009 0.009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0072 0.1381 0.2795
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0491 0.0612
Echinococcus granulosus neurogenic locus notch protein 0.0009 0.009 0.0016
Schistosoma mansoni notch 0.0009 0.009 0.009
Brugia malayi Animal haem peroxidase family protein 0.0072 0.1381 0.2795
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.3424 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0059 0.00000000014299
Brugia malayi MH1 domain containing protein 0.001 0.0099 0.0183
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7117 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1129 0.2282
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Schistosoma mansoni septate junction protein 0.0009 0.009 0.009
Brugia malayi Peroxidasin 0.0072 0.1381 0.2795
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0118 0.0221
Brugia malayi EGF-like domain containing protein 0.0009 0.009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0043 0.0787 0.1586
Brugia malayi MH1 domain containing protein 0.001 0.0099 0.0183
Schistosoma mansoni DNA helicase recq1 0.0012 0.0143 0.0143
Onchocerca volvulus 0.0072 0.1381 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.009 0.0164
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7117 1
Echinococcus granulosus muscleblind protein 0.018 0.3587 0.3539
Onchocerca volvulus Peroxidasin homolog 0.0072 0.1381 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0059 0.00000000014299
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.00000000014299
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0787 0.0718
Schistosoma mansoni notch 0.0009 0.009 0.009
Brugia malayi Smad1 0.001 0.0099 0.0183
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Brugia malayi beta-lactamase family protein 0.0043 0.0787 0.1586
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.4917 1
Echinococcus multilocularis protein jagged 2 0.0009 0.009 0.0016
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0009 0.009 0.0164
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0143 0.0984

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.76 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 31.6228 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 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) 39.8107 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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 to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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
Potency (functional) = 70.7946 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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