Detailed information for compound 1000325

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 646.513 | Formula: C35H29Cl2NO7
  • H donors: 0 H acceptors: 3 LogP: 7.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc2OC(C)(C)[C@@H]([C@@H](c2c2c1c(=O)c1cc3ccccc3cc1n2C)OC(=O)C)OC(=O)/C=C/c1ccc(cc1Cl)Cl
  • InChi: 1S/C35H29Cl2NO7/c1-18(39)43-33-30-27(45-35(2,3)34(33)44-28(40)13-11-19-10-12-22(36)16-24(19)37)17-26(42-5)29-31(30)38(4)25-15-21-9-7-6-8-20(21)14-23(25)32(29)41/h6-17,33-34H,1-5H3/b13-11+/t33-,34-/m1/s1
  • InChiKey: BNCAZAANUTUXDA-ONJOSTBXSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0169 0.0116
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0108 0.1193
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0108 0.083
Brugia malayi hypothetical protein 0.0037 0.0285 0.0501
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.0681 0.1058
Schistosoma mansoni lamin 0.0028 0.0178 0.02
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0108 0.1193
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.0735 0.1061
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0154 0.0239
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0081 0.0823 0.1277
Onchocerca volvulus 0.0042 0.0345 0.0296
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0084 0.0864 0.0864
Schistosoma mansoni inositol monophosphatase 0.0036 0.0272 0.0346
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0044 0.0376 0.0584
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0076 0.0039
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0044 0.0376 0.0897
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0345 1
Brugia malayi Carboxylesterase family protein 0.0044 0.0376 0.0673
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0399 0.0399
Entamoeba histolytica hypothetical protein 0.0024 0.0127 0.028
Brugia malayi hypothetical protein 0.0019 0.0065 0.0087
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0285 0.0285
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0108 0.0108
Schistosoma mansoni hypothetical protein 0.0024 0.0127 0.0119
Brugia malayi hypothetical protein 0.0029 0.0191 0.0326
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0127 0.0045
Loa Loa (eye worm) hypothetical protein 0.0042 0.0345 0.0647
Loa Loa (eye worm) hypothetical protein 0.0042 0.0345 0.0647
Brugia malayi Calcitonin receptor-like protein seb-1 0.0256 0.2959 0.5536
Echinococcus multilocularis para nitrobenzyl esterase 0.0044 0.0376 0.0376
Echinococcus granulosus dna polymerase eta 0.0022 0.0108 0.0167
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0108 0.1193
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0285 0.0366
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0256 0.2959 0.5536
Schistosoma mansoni BC026374 protein (S09 family) 0.0044 0.0376 0.0509
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0027 0.0169 0.1733
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0108 0.0202
Loa Loa (eye worm) hypothetical protein 0.0047 0.0412 0.0773
Schistosoma mansoni smad1 5 8 and 0.0018 0.0053 0.0004
Entamoeba histolytica hypothetical protein 0.0037 0.0285 0.1911
Echinococcus granulosus Niemann Pick C1 protein 0.0101 0.1068 0.1658
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0399 0.0748
Loa Loa (eye worm) inositol-1 0.0036 0.0272 0.051
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0108 0.1193
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0735 1
Echinococcus granulosus smad 0.0018 0.0053 0.0082
Echinococcus granulosus expressed conserved protein 0.0095 0.0993 0.1542
Schistosoma mansoni hypothetical protein 0.0042 0.0344 0.0459
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0108 0.0013
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0044 0.0376 0.0509
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0027 0.0169 0.1733
Leishmania major DNA polymerase eta, putative 0.0022 0.0108 0.083
Entamoeba histolytica hypothetical protein 0.0037 0.0285 0.1911
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0622 0.822
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0108 0.1193
Brugia malayi Carboxylesterase family protein 0.0262 0.3043 0.5695
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0345 0.0793
Echinococcus multilocularis acetylcholinesterase 0.0262 0.3043 0.3043
Brugia malayi beta-lactamase family protein 0.0042 0.0345 0.0615
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0108 0.0167
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0344 0.0344
Schistosoma mansoni patched 1 0.0043 0.0363 0.0489
Plasmodium falciparum importin beta, putative 0.003 0.0195 1
Brugia malayi PHD-finger family protein 0.0029 0.0187 0.0318
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0226 0.0396
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0108 0.1193
Echinococcus multilocularis BC026374 protein (S09 family) 0.0044 0.0376 0.0376
Mycobacterium tuberculosis Carboxylesterase LipT 0.0044 0.0376 0.0897
Echinococcus granulosus histone lysine methyltransferase setb 0.0084 0.0864 0.1342
Brugia malayi Importin beta-1 subunit 0.003 0.0195 0.0333
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0108 0.1193
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0027 0.0169 0.072
Schistosoma mansoni hypothetical protein 0.0042 0.0344 0.0459
Schistosoma mansoni smad1 5 8 and 0.0018 0.0053 0.0004
Loa Loa (eye worm) hypothetical protein 0.0044 0.0376 0.0705
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0345 0.0793
Loa Loa (eye worm) hypothetical protein 0.0175 0.197 0.3696
Echinococcus multilocularis lysosomal alpha glucosidase 0.0332 0.3896 0.3896
Trichomonas vaginalis set domain proteins, putative 0.0511 0.609 1
Schistosoma mansoni alpha-glucosidase 0.0286 0.3331 0.5133
Onchocerca volvulus 0.0042 0.0345 0.0296
Trichomonas vaginalis maltase-glucoamylase, putative 0.0027 0.0169 0.0116
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0272 0.1781
Loa Loa (eye worm) hypothetical protein 0.0044 0.0376 0.0705
Schistosoma mansoni hypothetical protein 0.0081 0.0823 0.1208
Brugia malayi RNA, U transporter 1 0.0084 0.0862 0.1588
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0108 0.0168
Plasmodium vivax SET domain protein, putative 0.0064 0.0622 1
Brugia malayi intermediate filament protein 0.0028 0.0178 0.0301
Loa Loa (eye worm) hypothetical protein 0.0028 0.0172 0.0323
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0363 0.0363
Echinococcus granulosus snurportin 1 0.0315 0.3693 0.5734
Brugia malayi MH1 domain containing protein 0.0018 0.0053 0.0065
Onchocerca volvulus 0.0192 0.2183 0.3402
Echinococcus granulosus Niemann Pick C1 protein 0.0144 0.1598 0.2481
Echinococcus granulosus lysosomal alpha glucosidase 0.0332 0.3896 0.605
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0191 0.9621
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0191 0.1758
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0272 0.0272
Schistosoma mansoni Smad4 0.0018 0.0053 0.0004
Schistosoma mansoni hypothetical protein 0.0037 0.0285 0.0366
Loa Loa (eye worm) hypothetical protein 0.0081 0.0823 0.1543
Schistosoma mansoni bromodomain containing protein 0.0073 0.0732 0.1066
Loa Loa (eye worm) hypothetical protein 0.0022 0.0108 0.0202
Echinococcus multilocularis dna polymerase eta 0.0022 0.0108 0.0108
Brugia malayi latrophilin 2 splice variant baaae 0.0175 0.197 0.3674
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.0823 0.0823
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0345 0.4693
Brugia malayi beta-lactamase 0.0042 0.0345 0.0615
Loa Loa (eye worm) hypothetical protein 0.0028 0.0178 0.0335
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0044 0.0376 0.0461
Loa Loa (eye worm) hypothetical protein 0.0027 0.0169 0.0318
Loa Loa (eye worm) beta-lactamase 0.0042 0.0345 0.0647
Echinococcus multilocularis lamin dm0 0.0028 0.0178 0.0178
Mycobacterium tuberculosis Conserved protein 0.0042 0.0345 0.0793
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0127 0.1109
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0108 0.1193
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0449 0.533 1
Leishmania major alpha glucosidase II subunit, putative 0.0074 0.0735 1
Giardia lamblia DINP protein human, muc B family 0.0022 0.0108 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0044 0.0376 1
Brugia malayi Carboxylesterase family protein 0.0044 0.0376 0.0673
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0178 0.0335
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.01 0.0187
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0735 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0399 0.0545
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0272 0.3234
Onchocerca volvulus 0.0044 0.0376 0.0349
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0345 0.0535
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0622 0.0894
Echinococcus multilocularis zinc finger protein 0.0023 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0045 0.0378 0.071
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.0622 0.0894
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0076 0.0039
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0345 0.046
Echinococcus multilocularis expressed conserved protein 0.0095 0.0993 0.0993
Loa Loa (eye worm) hypothetical protein 0.0042 0.0345 0.0647
Loa Loa (eye worm) hypothetical protein 0.0084 0.0864 0.1621
Echinococcus granulosus neuroligin 0.0044 0.0376 0.0584
Onchocerca volvulus 0.0028 0.0178 0.0015
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0074 0.0735 0.1061
Onchocerca volvulus 0.0042 0.0345 0.0296
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0074 0.0735 0.6563
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0345 0.0647
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0084 0.0864 0.1273
Echinococcus granulosus geminin 0.054 0.6441 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0108 0.0082
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0108 0.0089
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0053 0.0053
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0027 0.0169 0.0116
Trichomonas vaginalis sucrase-isomaltase, putative 0.0074 0.0735 0.1061
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0108 0.1193
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0272 0.3502
Schistosoma mansoni ran 0.0022 0.01 0.0076
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0315 0.3693 0.6928
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.0823 0.1514
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.0076 0.0076
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.1087 0.1622
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0345 0.4522
Loa Loa (eye worm) carboxylesterase 0.0044 0.0376 0.0705
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0345 0.4296
Loa Loa (eye worm) hypothetical protein 0.0042 0.0345 0.0647
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0027 0.0169 0.0116
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0285 0.0442
Leishmania major GTP-binding protein, putative 0.0022 0.01 0.0714
Echinococcus granulosus BC026374 protein S09 family 0.0044 0.0376 0.0584
Echinococcus multilocularis importin subunit beta 1 0.003 0.0195 0.0195
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0191 0.2371
Brugia malayi MH2 domain containing protein 0.0018 0.0053 0.0065
Entamoeba histolytica hypothetical protein 0.0037 0.0285 0.1911
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0108 0.1193
Loa Loa (eye worm) hypothetical protein 0.0262 0.3043 0.571
Brugia malayi MH1 domain containing protein 0.0018 0.0053 0.0065
Trypanosoma brucei ISWI complex protein 0.0018 0.0051 0.0396
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0108 0.083
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0169 0.0116
Leishmania major glycosyl hydrolase-like protein 0.0027 0.0169 0.1733
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0256 0.2959 0.5551
Trypanosoma brucei unspecified product 0.0022 0.0108 0.1193
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.0823 0.1543
Onchocerca volvulus 0.0044 0.0376 0.0349
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0345 0.0793
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0332 0.3896 0.731
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0399 0.0619
Echinococcus granulosus lamin dm0 0.0028 0.0178 0.0277
Brugia malayi MH2 domain containing protein 0.0263 0.3055 0.5717
Brugia malayi Pre-SET motif family protein 0.0064 0.0622 0.1136
Loa Loa (eye worm) hypothetical protein 0.0042 0.0345 0.0647
Loa Loa (eye worm) acetylcholinesterase 1 0.0262 0.3043 0.571
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0399 0.0545
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0345 0.0409
Echinococcus granulosus acetylcholinesterase 0.0262 0.3043 0.4725
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0345 0.0793
Schistosoma mansoni smad 0.0018 0.0053 0.0004
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0195 0.2421
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0029 0.0191 0.0359
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0345 0.8839
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.01 0.0153
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.0823 0.1277
Trypanosoma brucei glycosyl hydrolase-like protein 0.0027 0.0169 0.206
Schistosoma mansoni hypothetical protein 0.0081 0.0823 0.1208
Echinococcus multilocularis Smad4 0.0018 0.0053 0.0053
Loa Loa (eye worm) carboxylesterase 0.0044 0.0376 0.0705
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0169 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0363 0.044
Loa Loa (eye worm) hypothetical protein 0.005 0.0439 0.0824
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0272 0.0422
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0108 0.1193
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0178 0.0335
Schistosoma mansoni hypothetical protein 0.0042 0.0344 0.0459
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0272 0.0288
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0169 0.0116
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0053 0.01
Brugia malayi beta-lactamase family protein 0.0042 0.0345 0.0615
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0267 0.31 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0062 0.0593 0.0921
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0399 0.0716
Trichomonas vaginalis spcc417.12 protein, putative 0.0044 0.0376 0.0461
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0262 0.3043 0.4683
Schistosoma mansoni alpha-glucosidase 0.0286 0.3331 0.5133
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0127 0.0045
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0272 0.5
Schistosoma mansoni hypothetical protein 0.054 0.6441 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0345 0.0793
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0399 0.0619
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0272 0.613
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0108 0.083
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0272 0.0288
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0018 0.0034
Schistosoma mansoni DNA polymerase eta 0.0022 0.0108 0.0089
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0044 0.0376 0.0509
Brugia malayi Inositol-1 0.0036 0.0272 0.0478
Echinococcus multilocularis musashi 0.0028 0.0178 0.0178
Leishmania major hypothetical protein, conserved 0.0042 0.0345 0.4296
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0127 0.0045
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0622 0.0622
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0044 0.0376 0.0897
Echinococcus multilocularis lamin 0.0028 0.0178 0.0178
Mycobacterium ulcerans beta-lactamase 0.0042 0.0345 0.8839
Onchocerca volvulus 0.0044 0.0376 0.0349
Onchocerca volvulus 0.0511 0.609 1
Mycobacterium ulcerans hypothetical protein 0.0042 0.0345 0.8839
Schistosoma mansoni hypothetical protein 0.0081 0.0823 0.1208
Mycobacterium tuberculosis Conserved protein 0.0042 0.0345 0.0793
Loa Loa (eye worm) hypothetical protein 0.0101 0.1068 0.2003
Schistosoma mansoni hypothetical protein 0.0315 0.3693 0.57
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0127 0.0237
Brugia malayi Smad1 0.0018 0.0053 0.0065
Leishmania major importin beta-1 subunit, putative 0.0024 0.0127 0.1109
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0345 0.0615
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0345 0.8839
Echinococcus multilocularis GPCR, family 2 0.0081 0.0823 0.0823
Brugia malayi Carboxylesterase family protein 0.0044 0.0376 0.0673
Echinococcus multilocularis lysosomal alpha glucosidase 0.0332 0.3896 0.3896
Echinococcus granulosus carboxylesterase 5A 0.0262 0.3043 0.4725
Schistosoma mansoni gliotactin 0.0044 0.0376 0.0509
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0345 0.0345
Loa Loa (eye worm) transcription factor SMAD2 0.0263 0.3055 0.5731
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0053 0.01
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0195 0.2421
Brugia malayi Bromodomain containing protein 0.0044 0.0377 0.0676
Brugia malayi hypothetical protein 0.0044 0.0376 0.0673
Echinococcus granulosus intermediate filament protein 0.0028 0.0178 0.0277
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0074 0.0735 0.6563
Echinococcus multilocularis protein dispatched 1 0.0049 0.0438 0.0438
Echinococcus multilocularis neutral alpha glucosidase AB 0.0074 0.0735 0.0735
Schistosoma mansoni zinc finger protein 0.0023 0.0112 0.0095
Brugia malayi Glycosyl hydrolases family 31 protein 0.0027 0.0169 0.0284
Echinococcus multilocularis acetylcholinesterase 0.0262 0.3043 0.3043
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0108 0.0013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0044 0.0376 0.0705
Loa Loa (eye worm) hypothetical protein 0.0044 0.0376 0.0705
Echinococcus granulosus lamin 0.0028 0.0178 0.0277
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.0735 0.1061
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0191 0.9621
Loa Loa (eye worm) hypothetical protein 0.0082 0.0838 0.1572
Echinococcus granulosus neutral alpha glucosidase AB 0.0074 0.0735 0.1141
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0074 0.0735 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.01 0.0714
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0108 0.1193
Leishmania major hypothetical protein, conserved 0.0029 0.0191 0.2056
Loa Loa (eye worm) hypothetical protein 0.0262 0.3043 0.571
Onchocerca volvulus 0.0044 0.0376 0.0349
Brugia malayi Carboxylesterase family protein 0.0262 0.3043 0.5695
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0272 0.0288
Schistosoma mansoni hypothetical protein 0.0042 0.0344 0.0459
Loa Loa (eye worm) hypothetical protein 0.0053 0.0482 0.0905
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0108 0.0108
Echinococcus multilocularis protein patched 0.0043 0.0363 0.0363
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0081 0.0823 0.0823
Trichomonas vaginalis esterase, putative 0.0042 0.0345 0.0409
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0363 0.0564
Schistosoma mansoni acetylcholinesterase 0.0044 0.0376 0.0509
Echinococcus multilocularis geminin 0.054 0.6441 0.6441
Leishmania major DNA polymerase kappa, putative 0.0022 0.0108 0.083
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0053 0.0082
Schistosoma mansoni alpha glucosidase 0.0074 0.0735 0.1071
Loa Loa (eye worm) hypothetical protein 0.0043 0.0363 0.0682
Schistosoma mansoni intermediate filament proteins 0.0028 0.0178 0.02
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0345 0.0409
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0345 0.0409
Loa Loa (eye worm) Smad1 0.0018 0.0053 0.01
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0345 0.4296
Schistosoma mansoni hypothetical protein 0.054 0.6441 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0345 0.0647
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0154 0.0161
Brugia malayi Glycosyl hydrolases family 31 protein 0.0074 0.0735 0.1349
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.0076 0.0118
Entamoeba histolytica hypothetical protein 0.0037 0.0285 0.1911
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0195 0.1502
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.0735 0.1061
Echinococcus granulosus GPCR family 2 0.0081 0.0823 0.1277
Schistosoma mansoni hypothetical protein 0.0175 0.197 0.3004
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0084 0.0158
Trypanosoma brucei glucosidase, putative 0.0074 0.0735 1
Schistosoma mansoni importin beta-1 0.003 0.0195 0.0226
Plasmodium vivax importin-beta 2, putative 0.003 0.0195 0.1827
Schistosoma mansoni lamin 0.0028 0.0178 0.02
Echinococcus granulosus zinc finger protein 0.0023 0.0112 0.0173
Echinococcus multilocularis Niemann Pick C1 protein 0.0101 0.1068 0.1068
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0108 0.083
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0108 0.0168
Loa Loa (eye worm) carboxylesterase 0.0262 0.3043 0.571
Echinococcus multilocularis neuroligin 0.0044 0.0376 0.0376
Echinococcus multilocularis smad 0.0018 0.0053 0.0053
Brugia malayi Latrophilin receptor protein 2 0.0081 0.0823 0.1514
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0108 0.083
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0363 0.0682
Loa Loa (eye worm) hypothetical protein 0.0044 0.0376 0.0705
Schistosoma mansoni smad1 5 8 and 0.0018 0.0053 0.0004
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0178 0.0301
Loa Loa (eye worm) hypothetical protein 0.003 0.0195 0.0366
Echinococcus granulosus Smad4 0.0018 0.0053 0.0082
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0044 0.0376 0.0376
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.0735 0.1061
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0345 0.0409
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0272 0.3234
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0345 0.0793
Echinococcus granulosus para nitrobenzyl esterase 0.0044 0.0376 0.0584
Onchocerca volvulus 0.0064 0.0622 0.0765
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0074 0.0735 0.1379
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.01 0.01
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0169 0.0116
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.0735 0.1061
Toxoplasma gondii ABC1 family protein 0.0042 0.0345 0.3858
Echinococcus multilocularis carboxylesterase 5A 0.0262 0.3043 0.3043
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0272 0.3234
Loa Loa (eye worm) hypothetical protein 0.0256 0.2959 0.5551
Onchocerca volvulus 0.0044 0.0376 0.0349
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.01 0.0155
Loa Loa (eye worm) hypothetical protein 0.0044 0.0376 0.0705
Brugia malayi Niemann-Pick C1 protein precursor 0.0101 0.1068 0.1976
Onchocerca volvulus 0.0028 0.0178 0.0015
Loa Loa (eye worm) hypothetical protein 0.0044 0.0376 0.0705
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.01 0.0714
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0345 0.0793
Brugia malayi Pre-SET motif family protein 0.0449 0.533 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0263 0.3055 0.5731
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0053 0.0004
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0191 0.2056
Brugia malayi Bromodomain containing protein 0.0087 0.0898 0.1657
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0191 0.2056
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0074 0.0735 0.1061
Mycobacterium leprae Probable lipase LipE 0.0042 0.0345 1
Brugia malayi CHE-14 protein 0.0043 0.0363 0.0649
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0053 0.0053
Echinococcus multilocularis snurportin 1 0.0315 0.3693 0.3693
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0345 0.0409
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.0681 0.0681
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0044 0.0376 0.0509
Echinococcus granulosus dna polymerase kappa 0.0022 0.0108 0.0167
Schistosoma mansoni neuroligin 3 (S09 family) 0.0044 0.0376 0.0509
Schistosoma mansoni inositol monophosphatase 0.0036 0.0272 0.0346
Schistosoma mansoni ran 0.0022 0.01 0.0076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0399 0.0545
Echinococcus multilocularis Niemann Pick C1 protein 0.0144 0.1598 0.1598
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.01 0.1082
Echinococcus granulosus importin subunit beta 1 0.003 0.0195 0.0303
Mycobacterium tuberculosis Conserved protein 0.0042 0.0345 0.0793
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0101 0.1068 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0345 0.046
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0108 0.0089
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0108 0.1193
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0191 0.1445
Echinococcus granulosus acetylcholinesterase 0.0262 0.3043 0.4725
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0108 0.1193
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0363 0.0564
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0344 0.0534
Brugia malayi Glycosyl hydrolases family 31 protein 0.0332 0.3896 0.73
Schistosoma mansoni hypothetical protein 0.0081 0.0823 0.1208
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0053 0.0082
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0084 0.0864 0.1273
Mycobacterium ulcerans lipase LipD 0.0042 0.0345 0.8839
Brugia malayi MH2 domain containing protein 0.0018 0.0053 0.0065
Brugia malayi Carboxylesterase family protein 0.0044 0.0376 0.0673
Trichomonas vaginalis maltase-glucoamylase, putative 0.0074 0.0735 0.1061
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0272 0.2714
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0108 0.083

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.6 uM Cytotoxicity against mouse L1210 cells after 48 hrs by microculture tetrazolium assay ChEMBL. 19217791

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 19217791

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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