Detailed information for compound 1059466

Basic information

Technical information
  • TDR Targets ID: 1059466
  • Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl )piperidin-1-yl]-(6-methoxy-3-methyl-1-benzof uran-2-yl)methanone
  • MW: 388.457 | Formula: C21H28N2O5
  • H donors: 2 H acceptors: 3 LogP: 1.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)oc(c2C)C(=O)N1CC[C@H]([C@@H](C1)O)N1CCC(CC1)O
  • InChi: 1S/C21H28N2O5/c1-13-16-4-3-15(27-2)11-19(16)28-20(13)21(26)23-10-7-17(18(25)12-23)22-8-5-14(24)6-9-22/h3-4,11,14,17-18,24-25H,5-10,12H2,1-2H3/t17-,18-/m1/s1
  • InChiKey: NXYWFHXZAKGQMS-QZTJIDSGSA-N  

Network

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Synonyms

  • [(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidyl)-1-piperidyl]-(6-methoxy-3-methyl-benzofuran-2-yl)methanone
  • [(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidinyl)-1-piperidinyl]-(6-methoxy-3-methyl-2-benzofuranyl)methanone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi beta-lactamase 0.0035 0.0227 0.0476
Toxoplasma gondii PAN domain-containing protein 0.0032 0.0196 0.0492
Echinococcus granulosus transmembrane protease serine 3 0.0019 0.0026 0.0026
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.0026 0.0026
Plasmodium falciparum carbonic anhydrase 0.0171 0.2001 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0114 0.0222
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0227 0.0851
Brugia malayi beta-lactamase family protein 0.0035 0.0227 0.0476
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0077 0.0287
Toxoplasma gondii microneme protein MIC17B 0.0032 0.0196 0.0492
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0227 0.0851
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0262 0.0552
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0306 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0196 0.0435
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0585 0.1273
Entamoeba histolytica hypothetical protein 0.0035 0.0227 0.2129
Brugia malayi RNA binding protein 0.0062 0.0585 0.1273
Entamoeba histolytica hypothetical protein 0.0035 0.0227 0.2129
Loa Loa (eye worm) hypothetical protein 0.0171 0.2001 0.445
Schistosoma mansoni hypothetical protein 0.0039 0.0287 0.0609
Loa Loa (eye worm) PAN domain-containing protein 0.0032 0.0196 0.0435
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0105 0.1145 0.2523
Brugia malayi PAN domain containing protein 0.0032 0.0196 0.0405
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0229 0.048
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0105 0.1145 0.2523
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0114 0.0222
Echinococcus granulosus expressed conserved protein 0.009 0.094 0.2065
Schistosoma mansoni carbonic anhydrase-related 0.0171 0.2001 0.4432
Loa Loa (eye worm) hypothetical protein 0.0035 0.0227 0.0506
Schistosoma mansoni hypothetical protein 0.0035 0.0227 0.0475
Loa Loa (eye worm) hypothetical protein 0.0105 0.1145 0.2546
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.002 0.0014
Toxoplasma gondii hypothetical protein 0.0171 0.2001 0.5386
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0262 0.0552
Loa Loa (eye worm) hypothetical protein 0.0229 0.2756 0.6128
Schistosoma mansoni inositol monophosphatase 0.0038 0.0262 0.0552
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0019 0.0026 0.0026
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0014 0.5
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0306 0.0652
Onchocerca volvulus 0.0023 0.0077 0.0455
Brugia malayi Trypsin family protein 0.0019 0.0026 0.0026
Toxoplasma gondii microneme protein MIC17C 0.0032 0.0196 0.0492
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0363 0.4497 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0077 0.0287
Mycobacterium tuberculosis Conserved protein 0.0035 0.0227 0.0851
Loa Loa (eye worm) hypothetical protein 0.0032 0.0196 0.0435
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0019 0.0026 0.0026
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0363 0.4497 1
Brugia malayi PAN domain containing protein 0.0032 0.0196 0.0405
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.002 0.0775
Brugia malayi Trypsin family protein 0.0105 0.1145 0.2523
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0262 0.2473
Loa Loa (eye worm) PAN domain-containing protein 0.0032 0.0196 0.0435
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0253
Loa Loa (eye worm) carbonic anhydrase 3 0.0363 0.4497 1
Echinococcus multilocularis carbonic anhydrase 0.0171 0.2001 0.199
Loa Loa (eye worm) hypothetical protein 0.0023 0.0077 0.017
Onchocerca volvulus 0.0032 0.0196 0.1517
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0227 0.0476
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0227 0.0506
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0229 0.7369
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.1015 0.2233
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0114 0.1748
Brugia malayi hypothetical protein 0.0035 0.0227 0.0475
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.0014
Onchocerca volvulus 0.0035 0.0227 0.1802
Toxoplasma gondii PAN domain-containing protein 0.0032 0.0196 0.0492
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.1015 0.2233
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0077 0.014
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0227 0.0475
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0585 0.1273
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0262 0.847
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.1828 0.4047
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0227 0.7305
Plasmodium falciparum cysteine repeat modular protein 1 0.0067 0.065 0.3249
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0227 0.0476
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0227 0.7305
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0262 0.0248
Trypanosoma brucei carbonic anhydrase-like protein 0.0363 0.4497 1
Brugia malayi Inositol-1 0.0038 0.0262 0.0552
Loa Loa (eye worm) hypothetical protein 0.0035 0.0227 0.0506
Schistosoma mansoni alpha-glucosidase 0.0136 0.1542 0.3409
Echinococcus granulosus carbonic anhydrase 0.0171 0.2001 0.4432
Loa Loa (eye worm) PAN domain-containing protein 0.0032 0.0196 0.0435
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0306 0.0293
Toxoplasma gondii microneme protein MIC4 0.0032 0.0196 0.0492
Echinococcus granulosus glycoprotein Antigen 5 0.0019 0.0026 0.0026
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0114 0.0568
Echinococcus multilocularis Mastin 0.0019 0.0026 0.0012
Entamoeba histolytica hypothetical protein 0.0035 0.0227 0.2129
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1828 0.1817
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0229 0.048
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0227 0.3498
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.1828 0.4065
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0077 0.2932
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0171 0.2001 0.4432
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0227 0.0476
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.1015 0.1002
Echinococcus multilocularis transmembrane protease serine 3 0.0019 0.0026 0.0012
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0585 0.1273
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0585 0.0572
Loa Loa (eye worm) hypothetical protein 0.0171 0.2001 0.445
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0391 0.0841
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.0014
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0262 0.0552
Loa Loa (eye worm) TK/ROR protein kinase 0.0067 0.065 0.1446
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.021 0.0787
Brugia malayi CHE-14 protein 0.0041 0.0306 0.0652
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.0014
Brugia malayi PAN domain containing protein 0.0032 0.0196 0.0405
Schistosoma mansoni hypothetical protein 0.0039 0.0287 0.0609
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0114 0.0222
Onchocerca volvulus 0.0032 0.0196 0.1517
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0077 0.0626
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.002 0.0076
Loa Loa (eye worm) hypothetical protein 0.0032 0.0196 0.0435
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0227 0.7305
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0229 0.051
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.002 0.0014
Brugia malayi PAN domain containing protein 0.0032 0.0196 0.0405
Onchocerca volvulus 0.0032 0.0196 0.1517
Brugia malayi hypothetical protein 0.0019 0.0026 0.0026
Leishmania major DNA polymerase kappa, putative 0.0019 0.002 0.0014
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0306 0.0652
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0426 0.0919
Schistosoma mansoni DNA polymerase eta 0.0019 0.002 0.0014
Loa Loa (eye worm) hypothetical protein 0.0067 0.065 0.1446
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0014 0.0031
Schistosoma mansoni hypothetical protein 0.0019 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0057
Loa Loa (eye worm) PAN domain-containing protein 0.0032 0.0196 0.0435
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0014 0.0052
Echinococcus granulosus dna polymerase eta 0.0019 0.002 0.0014
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0363 0.4497 1
Echinococcus granulosus tissue type plasminogen activator 0.0067 0.065 0.1419
Brugia malayi PAN domain containing protein 0.0032 0.0196 0.0405
Echinococcus multilocularis protein dispatched 1 0.0047 0.0382 0.0368
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0227 0.0851
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Toxoplasma gondii hypothetical protein 0.0032 0.0196 0.0492
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0391 0.0841
Onchocerca volvulus 0.0032 0.0196 0.1517
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0227 0.0476
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0077 0.0626
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0227 0.0851
Brugia malayi beta-lactamase family protein 0.0035 0.0227 0.0476
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0227 0.8698
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.002 0.0014
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0171 0.2001 0.4432
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0229 0.0216
Schistosoma mansoni carbonic anhydrase-related 0.0171 0.2001 0.4432
Onchocerca volvulus 0.0035 0.0227 0.1802
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0032 0.0196 0.0492
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0229 0.7369
Echinococcus multilocularis carbonic anhydrase 0.0171 0.2001 0.199
Loa Loa (eye worm) RNA binding protein 0.0062 0.0585 0.13
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0057
Onchocerca volvulus 0.0035 0.0227 0.1802
Schistosoma mansoni carbonic anhydrase 0.0171 0.2001 0.4432
Echinococcus granulosus carbonic anhydrase 0.0171 0.2001 0.4432
Trypanosoma brucei glucosidase, putative 0.0035 0.0229 0.048
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.002 0.0014
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0227 0.0476
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.0026 0.0026
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.002 0.0014
Onchocerca volvulus 0.0032 0.0196 0.1517
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0363 0.4497 1
Brugia malayi Trypsin family protein 0.0019 0.0026 0.0026
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.0026 0.0026
Brugia malayi hypothetical protein 0.0026 0.0114 0.0222
Brugia malayi Kringle domain containing protein 0.0067 0.065 0.1419
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0585 0.13
Mycobacterium tuberculosis Conserved protein 0.0035 0.0227 0.0851
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0229 0.2151
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0391 0.0377
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0227 0.7305
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0067 0.065 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0426 0.0947
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0171 0.2001 0.4432
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.002 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.0014
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0227 0.0475
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0426 0.0947
Loa Loa (eye worm) hypothetical protein 0.0023 0.0077 0.017
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.002 0.0014
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0391 0.0841
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0262 1
Echinococcus multilocularis carbonic anhydrase 0.0171 0.2001 0.199
Onchocerca volvulus 0.0032 0.0196 0.1517
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0229 0.7369
Mycobacterium tuberculosis Conserved protein 0.0035 0.0227 0.0851
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1828 0.1817
Loa Loa (eye worm) hypothetical protein 0.0032 0.0196 0.0435
Onchocerca volvulus 0.0047 0.0382 0.318
Loa Loa (eye worm) hypothetical protein 0.0041 0.0306 0.0681
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0585 0.1273
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.1828 0.4047
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0391 0.0841
Echinococcus multilocularis glycoprotein Antigen 5 0.0019 0.0026 0.0012
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.2756 0.6116
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0227 0.0851
Toxoplasma gondii PAN/Apple domain-containing protein 0.0032 0.0196 0.0492
Schistosoma mansoni carbonic anhydrase-related 0.0171 0.2001 0.4432
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.0014
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0229 0.2151
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0391 0.0841
Brugia malayi PAN domain containing protein 0.0032 0.0196 0.0405
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0262 0.847
Toxoplasma gondii ABC1 family protein 0.0035 0.0227 0.0579
Onchocerca volvulus 0.0032 0.0196 0.1517
Toxoplasma gondii microneme protein MIC17A 0.0032 0.0196 0.0492
Trichomonas vaginalis esterase, putative 0.0035 0.0227 0.7305
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0077 0.014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0426 0.0919
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.0014
Mycobacterium ulcerans hypothetical protein 0.0023 0.0077 0.2932
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0045
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.002 0.0014
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0363 0.4497 1
Leishmania major hypothetical protein, conserved 0.0067 0.065 0.1419
Onchocerca volvulus 0.0032 0.0196 0.1517
Loa Loa (eye worm) hypothetical protein 0.0105 0.1145 0.2546
Entamoeba histolytica hypothetical protein 0.0035 0.0227 0.2129
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0585 0.1273
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.002 0.0014
Onchocerca volvulus 0.0105 0.1145 1
Onchocerca volvulus 0.0032 0.0196 0.1517
Loa Loa (eye worm) hypothetical protein 0.0095 0.1015 0.2257
Echinococcus multilocularis tissue type plasminogen activator 0.0067 0.065 0.0637
Toxoplasma gondii microneme protein, putative 0.0032 0.0196 0.0492
Toxoplasma gondii subtilisin SUB12 0.0032 0.0196 0.0492
Loa Loa (eye worm) hypothetical protein 0.0032 0.0196 0.0435
Onchocerca volvulus 0.0032 0.0196 0.1517
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0229 0.048
Schistosoma mansoni hypothetical protein 0.0039 0.0287 0.0609
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0227 0.8698
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0057
Toxoplasma gondii PAN domain-containing protein 0.0032 0.0196 0.0492
Trypanosoma cruzi hypothetical protein, conserved 0.0067 0.065 0.1419
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0019 0.0026 0.0026
Echinococcus granulosus dna polymerase kappa 0.0019 0.002 0.0014
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0262 0.847
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0077 0.014
Mycobacterium ulcerans hypothetical protein 0.0019 0.0026 0.0985
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.002 0.0014
Schistosoma mansoni hypothetical protein 0.0019 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.0067 0.065 0.1419
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0077 0.014
Loa Loa (eye worm) hypothetical protein 0.0023 0.0077 0.017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0391 0.0377
Onchocerca volvulus 0.0067 0.065 0.5579
Loa Loa (eye worm) PAN domain-containing protein 0.0032 0.0196 0.0435
Loa Loa (eye worm) hypothetical protein 0.005 0.0426 0.0948
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0077 0.2932
Mycobacterium ulcerans beta-lactamase 0.0035 0.0227 0.8698
Echinococcus multilocularis protein patched 0.0041 0.0306 0.0293
Onchocerca volvulus 0.0086 0.0893 0.7745
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.0026 0.0026
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0077 0.2932
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0171 0.2001 0.4432
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.021 0.8866
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0114 0.027
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.0026 0.0026
Echinococcus granulosus Mastin 0.0019 0.0026 0.0026
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0227 0.0214
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.0014
Loa Loa (eye worm) hypothetical protein 0.0035 0.0227 0.0506
Echinococcus granulosus carbonic anhydrase 0.0171 0.2001 0.4432
Echinococcus granulosus tar DNA binding protein 0.0062 0.0585 0.1273
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Brugia malayi Protein kinase domain containing protein 0.0067 0.065 0.1419
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0391 0.0841
Schistosoma mansoni hypothetical protein 0.0171 0.2001 0.4432
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0171 0.2001 0.445
Loa Loa (eye worm) hypothetical protein 0.0035 0.0227 0.0506
Schistosoma mansoni patched 1 0.0041 0.0306 0.0652
Echinococcus multilocularis enteropeptidase 0.0019 0.0026 0.0012
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0229 0.7369
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0363 0.4497 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0262 0.0552
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0262 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.1034 0.2276
Brugia malayi hypothetical protein 0.0229 0.2756 0.6116
Leishmania major hypothetical protein, conserved 0.0035 0.0227 0.0476
Loa Loa (eye worm) hypothetical protein 0.0035 0.0227 0.0506
Loa Loa (eye worm) hypothetical protein 0.0032 0.0196 0.0435
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0227 0.0851
Brugia malayi Trypsin-like protease protein 5 0.0019 0.0026 0.0026
Echinococcus granulosus carbonic anhydrase II 0.0363 0.4497 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0227 0.0476
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0077 0.2932
Leishmania major hypothetical protein, conserved 0.0026 0.0114 0.0222
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0391 0.0869
Echinococcus granulosus enteropeptidase 0.0019 0.0026 0.0026
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0019 0.0026 0.0012
Echinococcus multilocularis expressed conserved protein 0.009 0.094 0.0927
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.002 0.0063
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0229 0.048
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0227 0.0851
Mycobacterium leprae Probable lipase LipE 0.0035 0.0227 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0585 0.1273
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0014 0.007
Trypanosoma brucei unspecified product 0.0019 0.002 0.0014
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0227 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0114 0.0568
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0229 0.7369
Giardia lamblia DINP protein human, muc B family 0.0019 0.002 1
Loa Loa (eye worm) trypsin family protein 0.0019 0.0026 0.0057
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0077 0.014
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0014 0.0215
Loa Loa (eye worm) hypothetical protein 0.0034 0.022 0.0488
Schistosoma mansoni hypothetical protein 0.0047 0.0382 0.082
Mycobacterium ulcerans hypothetical protein 0.0035 0.0227 0.8698
Leishmania major DNA polymerase eta, putative 0.0019 0.002 0.0014
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0229 0.0584
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.002 0.0775
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0077 0.0626
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.002 0.0014
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0077 0.014
Onchocerca volvulus 0.0032 0.0196 0.1517
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0229 0.7369
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.002 0.0215
Schistosoma mansoni survival motor neuron protein 0.0047 0.0382 0.082
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.002 0.0215
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0363 0.4497 1
Onchocerca volvulus 0.0091 0.0962 0.8362
Loa Loa (eye worm) hypothetical protein 0.0032 0.0196 0.0435
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0077 0.2932
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0262 0.0671
Schistosoma mansoni inositol monophosphatase 0.0038 0.0262 0.0552
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0057
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0077 0.2932
Echinococcus multilocularis carbonic anhydrase II 0.0363 0.4497 0.4489
Toxoplasma gondii hypothetical protein 0.0032 0.0196 0.0492
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0229 0.048
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.1548 0.3422
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0229 0.7369
Loa Loa (eye worm) beta-lactamase 0.0035 0.0227 0.0506
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.1015 1
Brugia malayi PAN domain containing protein 0.0032 0.0196 0.0405
Brugia malayi PAN domain containing protein 0.0032 0.0196 0.0405
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.022 0.0458
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0019 0.0026 0.0012
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.2674 1
Toxoplasma gondii kringle domain-containing protein 0.0067 0.065 0.1725
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0227 0.7305
Brugia malayi Trypsin family protein 0.0019 0.0026 0.0026
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0382 0.082
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.002 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.002 0.0014
Echinococcus multilocularis dna polymerase eta 0.0019 0.002 0.0006
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0229 0.7369
Toxoplasma gondii PAN domain-containing protein 0.0302 0.3703 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0262 0.0552
Schistosoma mansoni alpha-glucosidase 0.0136 0.1542 0.3409
Loa Loa (eye worm) inositol-1 0.0038 0.0262 0.0582
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0585 0.13
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0171 0.2001 0.4432
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0227 0.0476
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0019 0.0026 0.0026
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.1548 0.1536
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.002 0.0076
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.2756 0.2745
Schistosoma mansoni hypothetical protein 0.0034 0.022 0.0458
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0227 0.0213
Brugia malayi TAR-binding protein 0.0062 0.0585 0.1273
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.002 0.0014
Brugia malayi PAN domain containing protein 0.0032 0.0196 0.0405
Toxoplasma gondii PAN domain-containing protein 0.0032 0.0196 0.0492
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0014 0.0534
Loa Loa (eye worm) hypothetical protein 0.0171 0.2001 0.445
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0057
Schistosoma mansoni alpha glucosidase 0.0035 0.0229 0.048
Brugia malayi PAN domain containing protein 0.0032 0.0196 0.0405
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0229 0.7369
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.0026 0.0026
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0306 0.0681
Loa Loa (eye worm) hypothetical protein 0.0035 0.0227 0.0506
Schistosoma mansoni hypothetical protein 0.0039 0.0287 0.0609
Toxoplasma gondii PAN domain-containing protein 0.0302 0.3703 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0077 0.2932
Leishmania major carbonic anhydrase-like protein 0.0363 0.4497 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0227 0.8698
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.002 0.0045
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.002 0.0014
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.002 0.0014
Echinococcus multilocularis dna polymerase kappa 0.0019 0.002 0.0006
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.002 0.0006

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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