Detailed information for compound 1048911

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 280.79 | Formula: C16H21ClO2
  • H donors: 0 H acceptors: 1 LogP: 4.47 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC/C=C/C=C\CC(C(C/C=C\C#C)Cl)OC(=O)C
  • InChi: 1S/C16H21ClO2/c1-4-6-8-9-11-13-16(19-14(3)18)15(17)12-10-7-5-2/h2,6-11,15-16H,4,12-13H2,1,3H3/b8-6+,10-7-,11-9-
  • InChiKey: GJNIZHUDNBTUTM-FLZUSWORSA-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
Brugia malayi nuclear receptor NHR-88 0.0031 0.0186 0.0162
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0114 0.1278 0.9848
Echinococcus multilocularis muscleblind protein 0.0576 0.7373 0.7373
Schistosoma mansoni lamin 0.0112 0.1256 0.4567
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0063 0.0603 0.0593
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0185 0.0674
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0186 0.0186
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.005 0.018
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.005 0.0201
Brugia malayi hypothetical protein 0.0154 0.1808 0.1788
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0037 0.0257 0.0249
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0409 0.1488
Loa Loa (eye worm) hypothetical protein 0.0576 0.7373 0.7371
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0186 0.0186
Schistosoma mansoni hypothetical protein 0.0021 0.0047 0.0173
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0322 0.2373
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0054 0.0489 0.0489
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0019 0.0024 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0186 0.0178
Echinococcus multilocularis dna polymerase eta 0.0021 0.005 0.005
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0186 0.0162
Mycobacterium tuberculosis Probable lipase LipE 0.0114 0.1278 0.1316
Loa Loa (eye worm) hypothetical protein 0.0019 0.0024 0.0016
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0115 0.1297 0.1297
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.007 0.0701 0.5217
Loa Loa (eye worm) hypothetical protein 0.0031 0.0186 0.0178
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0226 0.2751 0.2751
Brugia malayi Intermediate filament tail domain containing protein 0.0112 0.1256 0.1235
Entamoeba histolytica hypothetical protein 0.0154 0.1808 1
Brugia malayi Inositol-1 0.007 0.0701 0.0678
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0048 0.0412 0.0404
Loa Loa (eye worm) hypothetical protein 0.0576 0.7373 0.7371
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0226 0.2751 0.2751
Echinococcus granulosus inositol monophosphatase 1 0.007 0.0701 0.0701
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.031 0.0946
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.005 0.0201
Loa Loa (eye worm) hypothetical protein 0.0114 0.1278 0.1271
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.005 0.0201
Entamoeba histolytica hypothetical protein 0.0154 0.1808 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.005 0.0201
Echinococcus multilocularis muscleblind protein 1 0.0576 0.7373 0.7373
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0186 0.0675
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.005 0.0201
Brugia malayi hypothetical protein 0.0022 0.0064 0.0039
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0114 0.1278 0.4647
Loa Loa (eye worm) hypothetical protein 0.0114 0.1278 0.1271
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0019 0.0024 0.0089
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0019 0.0024 0.0024
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.007 0.0701 0.5312
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0186 0.0335
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0186 0.0178
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0186 0.0178
Schistosoma mansoni aldehyde dehydrogenase 0.0115 0.1297 0.4716
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.031 0.0946
Echinococcus granulosus tumor protein p63 0.0329 0.4116 0.4116
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0042 0.0322 0.0298
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.025 0.025
Mycobacterium tuberculosis Probable hydrolase 0.0114 0.1278 0.1316
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0019 0.0024 0.0024
Mycobacterium ulcerans hypothetical protein 0.0114 0.1278 0.9848
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0186 0.0186
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0158 0.186 0.184
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0054 0.0489 0.0489
Schistosoma mansoni sterol O-acyltransferase 1 0.0019 0.0024 0.0089
Brugia malayi Bromodomain containing protein 0.0038 0.0282 0.0258
Mycobacterium ulcerans aldehyde dehydrogenase 0.0115 0.1297 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0186 0.0178
Toxoplasma gondii LsmAD domain-containing protein 0.0022 0.0064 0.0308
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0114 0.1278 0.1316
Loa Loa (eye worm) MBOAT family protein 0.0019 0.0024 0.0016
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0412 0.1496
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0186 0.0178
Loa Loa (eye worm) hypothetical protein 0.0031 0.0186 0.0178
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0019 0.0024 0.0089
Trypanosoma brucei hypothetical protein, conserved 0.0114 0.1278 1
Schistosoma mansoni intermediate filament proteins 0.0112 0.1256 0.4567
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0186 0.0675
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0019 0.0024 0.0089
Brugia malayi steroid hormone receptor 0.0031 0.0186 0.0162
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.031 0.0946
Toxoplasma gondii ABC1 family protein 0.0114 0.1278 0.9851
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0412 0.1496
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0186 0.0178
Schistosoma mansoni alpha-glucosidase 0.0158 0.1853 0.6735
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.048 0.0472
Loa Loa (eye worm) hypothetical protein 0.0384 0.4837 0.4833
Loa Loa (eye worm) hypothetical protein 0.0114 0.1278 0.1271
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.031 0.0946
Mycobacterium tuberculosis Probable esterase LipL 0.0114 0.1278 0.1316
Brugia malayi follicle stimulating hormone receptor 0.0242 0.2967 0.295
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0186 0.0675
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.022 0.2682 0.2682
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.2644 0.2638
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0186 0.0162
Echinococcus granulosus muscleblind protein 0.0576 0.7373 0.7373
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0186 0.0186
Onchocerca volvulus 0.0114 0.1278 0.2605
Schistosoma mansoni survival motor neuron protein 0.0158 0.186 0.676
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0186 0.0675
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0186 0.0186
Brugia malayi MH2 domain containing protein 0.0134 0.1544 0.1523
Loa Loa (eye worm) hypothetical protein 0.0054 0.048 0.0472
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.005 0.0141
Trichomonas vaginalis penicillin-binding protein, putative 0.0114 0.1278 0.4158
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.031 0.0946
Mycobacterium leprae conserved hypothetical protein 0.0114 0.1278 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0114 0.1278 0.1316
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0186 0.0675
Schistosoma mansoni inositol monophosphatase 0.007 0.0701 0.2547
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0186 0.0186
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.007 0.0701 0.5392
Echinococcus multilocularis tumor protein p63 0.0329 0.4116 0.4116
Loa Loa (eye worm) intermediate filament protein 0.0112 0.1256 0.1249
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.1544 0.1537
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0019 0.0024 0.0024
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.031 0.16
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.005 0.0201
Brugia malayi Bromodomain containing protein 0.0075 0.0768 0.0746
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0186 0.0186
Trichomonas vaginalis myo inositol monophosphatase, putative 0.007 0.0701 0.2242
Echinococcus granulosus lamin dm0 0.0112 0.1256 0.1256
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0019 0.0024 0.0024
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0186 0.0675
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0186 0.0675
Loa Loa (eye worm) hypothetical protein 0.0031 0.0186 0.0178
Loa Loa (eye worm) hypothetical protein 0.0054 0.0489 0.0482
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.007 0.0701 0.5392
Loa Loa (eye worm) hypothetical protein 0.0019 0.0024 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0186 0.0162
Loa Loa (eye worm) hypothetical protein 0.0052 0.0462 0.0454
Onchocerca volvulus 0.0048 0.0409 0.08
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.031 0.2242
Echinococcus multilocularis beta LACTamase domain containing family member 0.0114 0.1278 0.1278
Echinococcus multilocularis survival motor neuron protein 1 0.0775 1 1
Onchocerca volvulus 0.0114 0.1278 0.2605
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0186 0.0162
Loa Loa (eye worm) hypothetical protein 0.0775 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.005 0.0201
Treponema pallidum alginate O-acetylation protein (algI) 0.0019 0.0024 0.5
Mycobacterium tuberculosis Conserved protein 0.0114 0.1278 0.1316
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0154 0.1808 0.1808
Echinococcus granulosus sterol O acyltransferase 1 0.0019 0.0024 0.0024
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.031 0.0302
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0073 0.0073
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0226 0.2751 0.2745
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.031 0.16
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.005 0.0201
Echinococcus multilocularis lamin 0.0112 0.1256 0.1256
Echinococcus multilocularis inositol monophosphatase 1 0.007 0.0701 0.0701
Loa Loa (eye worm) inositol-1 0.007 0.0701 0.0693
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0042 0.0322 1
Trichomonas vaginalis set domain proteins, putative 0.0248 0.304 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0186 0.0162
Mycobacterium ulcerans aldehyde dehydrogenase 0.0115 0.1297 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.031 0.0946
Plasmodium vivax hypothetical protein, conserved 0.0114 0.1278 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0114 0.1278 0.1271
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0115 0.1297 1
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.1278 0.4158
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.2189 0.2189
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.2189 0.2189
Schistosoma mansoni transcription factor LCR-F1 0.0154 0.1808 0.6572
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.0322 0.0987
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0185 0.1265
Echinococcus granulosus zinc finger protein 0.0201 0.2431 0.2431
Trichomonas vaginalis penicillin-binding protein, putative 0.0114 0.1278 0.4158
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0322 0.0322
Leishmania major DNA polymerase eta, putative 0.0021 0.005 0.0198
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.031 0.2276
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0186 0.0186
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0186 0.0186
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0186 0.0186
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0226 0.2751 0.2733
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.0412 0.0412
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.005 0.005
Onchocerca volvulus 0.0031 0.0186 0.0335
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0115 0.1297 0.1336
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0186 0.0162
Mycobacterium ulcerans lipase LipD 0.0114 0.1278 0.9848
Loa Loa (eye worm) hypothetical protein 0.0031 0.0186 0.0178
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.005 0.0201
Mycobacterium tuberculosis Probable lipase LipD 0.0114 0.1278 0.1316
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0186 0.0178
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.1278 1
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0019 0.0024 0.0024
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0186 0.0675
Echinococcus granulosus lamin 0.0112 0.1256 0.1256
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.005 0.0025
Loa Loa (eye worm) hypothetical protein 0.0041 0.0314 0.0306
Entamoeba histolytica hypothetical protein 0.0154 0.1808 1
Loa Loa (eye worm) MBOAT family protein 0.022 0.2682 0.2676
Onchocerca volvulus Huntingtin homolog 0.0384 0.4837 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0115 0.1297 1
Brugia malayi beta-lactamase family protein 0.0114 0.1278 0.1257
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0019 0.0024 0.0024
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0042 0.0322 0.1171
Schistosoma mansoni coup transcription factor 0.0031 0.0186 0.0675
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.2189 0.2183
Mycobacterium tuberculosis Conserved protein 0.0114 0.1278 0.1316
Echinococcus granulosus zinc finger protein 0.002 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0043 0.0339 0.0332
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.031 0.031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0185 0.0674
Loa Loa (eye worm) hypothetical protein 0.0112 0.1256 0.1249
Onchocerca volvulus 0.0112 0.1256 0.256
Loa Loa (eye worm) hypothetical protein 0.0039 0.0283 0.0275
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.031 0.031
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0186 0.0186
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.005 0.0201
Loa Loa (eye worm) beta-lactamase 0.0114 0.1278 0.1271
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.005 0.0201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.048 0.0457
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.006 0.0568 0.056
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0728 0.9386 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.005 0.0201
Leishmania major DNA polymerase kappa, putative 0.0021 0.005 0.0198
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.005 0.0201
Schistosoma mansoni inositol monophosphatase 0.007 0.0701 0.2547
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0019 0.0024 0.0089
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.005 0.0083
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.005 0.0042
Mycobacterium ulcerans esterase/lipase LipP 0.0114 0.1278 0.9848
Leishmania major hypothetical protein, conserved 0.0022 0.0064 0.0308
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0186 0.0186
Brugia malayi MBOAT family protein 0.022 0.2682 0.2664
Loa Loa (eye worm) hypothetical protein 0.0019 0.0024 0.0016
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0186 0.0186
Echinococcus multilocularis ubiquitin specific protease 41 0.0042 0.0322 0.0322
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0186 0.0675
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0186 0.0162
Schistosoma mansoni alpha glucosidase 0.0041 0.031 0.1126
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0186 0.0178
Schistosoma mansoni zinc finger protein 0.002 0.0033 0.0122
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0322 0.0322
Toxoplasma gondii aldehyde dehydrogenase 0.0115 0.1297 1
Leishmania major hypothetical protein, conserved 0.0114 0.1278 0.9851
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.1278 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0186 0.0178
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0019 0.0024 0.0024
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0064 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1229 0.1222
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.2189 0.217
Loa Loa (eye worm) hypothetical protein 0.0031 0.0186 0.0178
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0186 0.0162
Schistosoma mansoni hypothetical protein 0.0019 0.0024 0.0089
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0186 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0186 0.0162
Onchocerca volvulus 0.0158 0.186 0.3813
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0186 0.0675
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0042 0.0322 0.2338
Loa Loa (eye worm) hypothetical protein 0.0019 0.0024 0.0016
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.0412 0.0412
Plasmodium vivax ataxin-2 like protein, putative 0.0022 0.0064 0.0313
Onchocerca volvulus 0.0106 0.1171 0.2382
Loa Loa (eye worm) hypothetical protein 0.0384 0.4837 0.4833
Schistosoma mansoni DNA polymerase eta 0.0021 0.005 0.018
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0114 0.1278 0.1316
Onchocerca volvulus 0.0114 0.1278 0.2605
Onchocerca volvulus 0.0112 0.1256 0.256
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0257 0.0233
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.007 0.0701 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0462 0.0454
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0186 0.0675
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0064 0.0313
Brugia malayi beta-lactamase family protein 0.0114 0.1278 0.1257
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0565 0.0565
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0019 0.0024 0.0016
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0042 0.0322 0.1171
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0186 0.0162
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0322 0.0987
Echinococcus granulosus ubiquitin specific protease 41 0.0042 0.0322 0.0322
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0019 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0071 0.0712 0.0704
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0019 0.0024 0.0024
Entamoeba histolytica myo-inositol monophosphatase, putative 0.007 0.0701 0.3791
Echinococcus granulosus o acyltransferase membrane bound domain 0.0019 0.0024 0.0024
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.005 0.0201
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0114 0.1278 0.4647
Echinococcus granulosus dna polymerase eta 0.0021 0.005 0.005
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.005 0.0025
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0115 0.1297 0.1297
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.031 0.0946
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.1278 0.4158
Brugia malayi hypothetical protein 0.0384 0.4837 0.4825
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0019 0.0024 0.0089
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0019 0.0024 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0186 0.0162
Echinococcus multilocularis musashi 0.0112 0.1256 0.1256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0226 0.2751 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0186 0.0178
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.2189 0.2189
Mycobacterium leprae Probable lipase LipE 0.0114 0.1278 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0154 0.1808 0.1808
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0064 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0226 0.2751 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.005 0.005
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.005 0.005
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0186 0.0162
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0019 0.0024 0.0024
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0019 0.0024 0.0089
Onchocerca volvulus 0.0031 0.0185 0.0335
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.005 0.0198
Trichomonas vaginalis myo inositol monophosphatase, putative 0.007 0.0701 0.2242
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.031 0.2276
Brugia malayi intermediate filament protein 0.0112 0.1256 0.1235
Brugia malayi ecdysteroid receptor 0.0031 0.0186 0.0162
Echinococcus granulosus survival motor neuron protein 1 0.0775 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0064 0.0313
Brugia malayi Muscleblind-like protein 0.0576 0.7373 0.7367
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0226 0.2751 0.2751
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0186 0.0162
Loa Loa (eye worm) hypothetical protein 0.0114 0.1278 0.1271
Schistosoma mansoni hypothetical protein 0.0158 0.186 0.676
Echinococcus multilocularis zinc finger protein 0.0201 0.2431 0.2431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0322 0.2373
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0114 0.1278 0.1257
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0186 0.0162
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.2967 0.2962
Trichomonas vaginalis esterase, putative 0.0114 0.1278 0.4158
Loa Loa (eye worm) hhat protein 0.0019 0.0024 0.0016
Loa Loa (eye worm) hypothetical protein 0.0022 0.0064 0.0056
Onchocerca volvulus Huntingtin homolog 0.0384 0.4837 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.031 0.0946
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.005 0.0201
Schistosoma mansoni lamin 0.0112 0.1256 0.4567
Schistosoma mansoni hypothetical protein 0.0037 0.0257 0.0933
Plasmodium vivax SET domain protein, putative 0.0031 0.0185 0.1284
Loa Loa (eye worm) hypothetical protein 0.0042 0.0322 0.0314
Trichomonas vaginalis inositol monophosphatase, putative 0.007 0.0701 0.2242
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0226 0.2751 0.2751
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.031 0.0286
Mycobacterium tuberculosis Conserved protein 0.0114 0.1278 0.1316
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0186 0.0675
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0185 0.0185
Mycobacterium ulcerans beta-lactamase 0.0114 0.1278 0.9848
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.007 0.0701 0.5312
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.048 0.0457
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.005 0.0201
Brugia malayi Pre-SET motif family protein 0.0217 0.2644 0.2625
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0186 0.0186
Brugia malayi cytoplasmic intermediate filament protein 0.006 0.0568 0.0545
Brugia malayi PHD-finger family protein 0.0025 0.0104 0.008
Trypanosoma brucei unspecified product 0.0021 0.005 0.0201
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0186 0.0186
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.1278 0.4158
Schistosoma mansoni alpha-glucosidase 0.0158 0.1853 0.6735
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0322 0.0322
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.1544 0.1537
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.0322 0.0987
Loa Loa (eye worm) hypothetical protein 0.0114 0.1278 0.1271
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.007 0.0701 0.5392
Echinococcus granulosus intermediate filament protein 0.0112 0.1256 0.1256
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0064 0.0313
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0073 0.0265
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.031 0.2242
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0112 0.1256 0.1249
Schistosoma mansoni bromodomain containing protein 0.0064 0.0613 0.2228
Loa Loa (eye worm) hypothetical protein 0.0021 0.005 0.0042
Echinococcus granulosus beta LACTamase domain containing family member 0.0114 0.1278 0.1278
Brugia malayi nuclear hormone receptor 0.0031 0.0186 0.0162
Echinococcus multilocularis dna polymerase kappa 0.0021 0.005 0.005
Echinococcus multilocularis sterol O acyltransferase 1 0.0019 0.0024 0.0024
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.031 0.0946
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.017 0.017
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.005 0.0201
Echinococcus multilocularis lamin dm0 0.0112 0.1256 0.1256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0226 0.2751 1
Schistosoma mansoni zinc finger protein 0.022 0.2682 0.9747
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.005 0.0083
Loa Loa (eye worm) MBOAT family protein 0.0019 0.0024 0.0016
Loa Loa (eye worm) hypothetical protein 0.0031 0.0186 0.0178
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0186 0.0162
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0047 0.0039
Loa Loa (eye worm) hhat protein 0.0019 0.0024 0.0016
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0186 0.0186
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.005 0.0201
Loa Loa (eye worm) hypothetical protein 0.0114 0.1278 0.1271
Brugia malayi Pre-SET motif family protein 0.0031 0.0185 0.0161
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.022 0.2682 0.2682
Schistosoma mansoni aldehyde dehydrogenase 0.0115 0.1297 0.4716
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0186 0.0335
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0186 0.0162
Loa Loa (eye worm) hypothetical protein 0.0048 0.0409 0.0402
Schistosoma mansoni hypothetical protein 0.0154 0.1808 0.6572
Echinococcus granulosus o acyltransferase membrane bound domain 0.0019 0.0024 0.0024
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.005 0.0201
Brugia malayi beta-lactamase 0.0114 0.1278 0.1257
Trypanosoma brucei glucosidase, putative 0.0041 0.031 0.2276
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0073 0.0073
Entamoeba histolytica hypothetical protein 0.0154 0.1808 1
Onchocerca volvulus 0.0248 0.304 0.6266
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0042 0.0322 0.1669
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.005 0.018
Echinococcus granulosus o acyltransferase membrane bound domain 0.0019 0.0024 0.0024
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0186 0.0335
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0565 0.0565
Echinococcus multilocularis zinc finger protein 0.002 0.0033 0.0033
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0322 0.0322
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0322 0.2373

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) >= 10 uM Cytotoxicity against human HT-29 cells after 48 hrs ChEMBL. 19138151
IC50 (functional) >= 10 uM Cytotoxicity against human MCF7 cells after 48 hrs ChEMBL. 19138151
IC50 (functional) >= 10 uM Cytotoxicity against human PC3 cells after 48 hrs ChEMBL. 19138151
IC50 (functional) >= 10 uM Cytotoxicity against human HeLa cells after 48 hrs ChEMBL. 19138151
IC50 (functional) >= 10 uM Cytotoxicity against human A431 cells after 48 hrs ChEMBL. 19138151

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19138151

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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