Detailed information for compound 1120846

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.459 | Formula: C21H20N2O5S
  • H donors: 1 H acceptors: 4 LogP: 3.41 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)N(Cc1cccc(c1)OCc1csc(n1)c1ccccc1)CC(=O)O
  • InChi: 1S/C21H20N2O5S/c1-27-21(26)23(12-19(24)25)11-15-6-5-9-18(10-15)28-13-17-14-29-20(22-17)16-7-3-2-4-8-16/h2-10,14H,11-13H2,1H3,(H,24,25)
  • InChiKey: XKKWVWJLILGEDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni nuclear hormone receptor superfamily protein-related Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum IPR008946,Nuclear receptor, ligand-binding,domain-containing Get druggable targets OG5_137778 All targets in OG5_137778
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor alpha 468 aa 397 aa 25.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.011 0.0187
Schistosoma mansoni ap endonuclease 0.0019 0.0092 0.0092
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0507 0.0807
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0033 0.0415 0.0415
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0061 0.1084 0.2432
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0507 0.1818
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.6879 1
Brugia malayi Thioredoxin reductase 0.0039 0.0568 0.0965
Schistosoma mansoni retinoic acid receptor RXR 0.0033 0.0415 0.0415
Mycobacterium tuberculosis Conserved protein 0.0037 0.0507 0.0807
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0199 0.4404 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0415 0.0705
Trichomonas vaginalis DNA polymerase eta, putative 0.0061 0.1084 0.1462
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0415 0.0705
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.1084 0.4285
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0568 0.0965
Loa Loa (eye worm) hypothetical protein 0.0033 0.0415 0.0705
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0507 0.1818
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0507 0.0807
Mycobacterium ulcerans hypothetical protein 0.0037 0.0507 0.1032
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0415 0.0705
Brugia malayi PHD-finger family protein 0.0032 0.0394 0.067
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0191 0.4208 0.7151
Trypanosoma cruzi DNA polymerase eta, putative 0.0061 0.1084 0.4285
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0014 0.0024
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0061 0.1084 0.193
Entamoeba histolytica deoxycytidyl transferase, putative 0.0061 0.1084 0.1462
Brugia malayi N-terminal motif family protein 0.0199 0.4404 0.7485
Brugia malayi hypothetical protein 0.0039 0.0573 0.0974
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0092 0.0156
Schistosoma mansoni DNA polymerase IV / kappa 0.0019 0.0081 0.0081
Brugia malayi nuclear receptor NHR-88 0.0033 0.0415 0.0705
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Echinococcus multilocularis RUN 0.002 0.011 0.0187
Echinococcus granulosus inositol monophosphatase 1 0.0116 0.2423 0.4117
Loa Loa (eye worm) hypothetical protein 0.0033 0.0415 0.0705
Schistosoma mansoni inositol monophosphatase 0.0116 0.2423 0.2423
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.011 0.0187
Onchocerca volvulus 0.0037 0.0507 0.1151
Echinococcus granulosus dna polymerase eta 0.0061 0.1084 0.1843
Brugia malayi jmjC domain containing protein 0.0044 0.0679 0.1153
Schistosoma mansoni thyroid hormone receptor 0.0033 0.0415 0.0415
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0014 0.0024
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Loa Loa (eye worm) acetyltransferase 0.0158 0.343 0.5829
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0654 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0507 0.0611
Onchocerca volvulus 0.0033 0.0415 0.0942
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0033 0.0415 0.0705
Schistosoma mansoni aldehyde dehydrogenase 0.0191 0.4208 0.4208
Brugia malayi hypothetical protein 0.002 0.011 0.0187
Loa Loa (eye worm) hypothetical protein 0.0035 0.046 0.0782
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0573 0.0974
Trypanosoma brucei unspecified product 0.0042 0.0633 0.2357
Onchocerca volvulus 0.009 0.1801 0.409
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0024
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0092 0.1089
Schistosoma mansoni coup transcription factor 0.0033 0.0415 0.0415
Leishmania major DNA polymerase kappa, putative 0.0061 0.1084 0.2432
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0302 0.6879 1
Echinococcus granulosus lysine specific demethylase 5A 0.0044 0.0679 0.1153
Trypanosoma brucei unspecified product 0.0042 0.0633 0.2357
Loa Loa (eye worm) inositol-1 0.0116 0.2423 0.4117
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0679 0.0679
Echinococcus granulosus RUN 0.002 0.011 0.0187
Toxoplasma gondii thioredoxin reductase 0.0039 0.0568 0.1179
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0633 0.2357
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0092 0.0156
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0747 0.1614
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0415 0.0705
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0633 0.2357
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0104 0.213 0.6092
Loa Loa (eye worm) hypothetical protein 0.0033 0.0415 0.0705
Echinococcus granulosus arachidonate 5 lipoxygenase 0.012 0.2503 0.4254
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0104 0.2133 0.3626
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0061 0.1084 0.1843
Loa Loa (eye worm) steroid hormone receptor 0.0033 0.0415 0.0705
Echinococcus multilocularis dna polymerase kappa 0.0061 0.1084 0.1843
Schistosoma mansoni terminal deoxycytidyl transferase 0.0061 0.1084 0.1084
Loa Loa (eye worm) histone methyltransferase 0.0028 0.0301 0.0512
Brugia malayi ecdysteroid receptor 0.0033 0.0415 0.0705
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0191 0.4208 0.8004
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0061 0.1084 0.1084
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0507 0.0611
Mycobacterium tuberculosis Conserved protein 0.0037 0.0507 0.0807
Loa Loa (eye worm) hypothetical protein 0.0017 0.0044 0.0076
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0158 0.343 0.343
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0158 0.343 0.5829
Trypanosoma brucei DNA polymerase eta, putative 0.0061 0.1084 0.4285
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0033 0.0415 0.0942
Echinococcus granulosus mixed lineage leukemia protein mll 0.0022 0.0169 0.0287
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0394 0.067
Brugia malayi jmjC domain containing protein 0.0104 0.2133 0.3626
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0061 0.1084 0.1843
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0747 0.127
Loa Loa (eye worm) hypothetical protein 0.0033 0.0415 0.0705
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0033 0.0419 0.0419
Mycobacterium tuberculosis Probable reductase 0.0089 0.177 0.3263
Schistosoma mansoni cpg binding protein 0.0096 0.1925 0.1925
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.1084 0.4285
Echinococcus multilocularis GPCR, family 2 0.0016 0.0014 0.0024
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0033 0.0415 0.0705
Schistosoma mansoni hypothetical protein 0.0016 0.0014 0.0014
Trypanosoma brucei trypanothione reductase 0.0039 0.0568 0.2079
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0092 0.0156
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0415 0.0705
Loa Loa (eye worm) hypothetical protein 0.0261 0.5884 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0033 0.0415 0.0415
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0142 0.3029 0.5147
Brugia malayi glutathione reductase 0.0039 0.0568 0.0965
Echinococcus multilocularis inositol monophosphatase 1 0.0116 0.2423 0.4117
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.6879 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0507 0.0861
Entamoeba histolytica hypothetical protein 0.0039 0.0573 0.0709
Leishmania major DNA polymerase eta, putative 0.0061 0.1084 0.2432
Plasmodium falciparum DNA repair protein REV1, putative 0.0019 0.0081 0.1079
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0507 0.0861
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0191 0.4208 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0844 0.1435
Brugia malayi hypothetical protein 0.0017 0.0044 0.0076
Mycobacterium ulcerans aldehyde dehydrogenase 0.0191 0.4208 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.6879 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0747 1
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0568 0.7561
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0116 0.2423 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0394 0.067
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0089 0.177 0.3263
Mycobacterium tuberculosis Probable oxidoreductase 0.0099 0.2009 0.3728
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0044 0.0076
Loa Loa (eye worm) hypothetical protein 0.0055 0.094 0.1598
Plasmodium vivax glutathione reductase, putative 0.0039 0.0568 0.7561
Brugia malayi PHD-finger family protein 0.0016 0.0003 0.0005
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0507 0.0507
Loa Loa (eye worm) doublecortin family protein 0.002 0.011 0.0187
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0148 0.3171 0.5988
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0861
Mycobacterium ulcerans DNA polymerase IV 0.0061 0.1084 0.2432
Brugia malayi acetyltransferase, GNAT family protein 0.0158 0.343 0.5829
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0861
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0092 0.0156
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0033 0.0415 0.0705
Brugia malayi CXXC zinc finger family protein 0.009 0.1801 0.3061
Echinococcus granulosus peregrin 0.0036 0.0487 0.0828
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0033 0.0415 0.0705
Loa Loa (eye worm) hypothetical protein 0.002 0.011 0.0187
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0747 0.0966
Loa Loa (eye worm) jmjC domain-containing protein 0.0044 0.0679 0.1153
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0033 0.0415 0.0705
Trichomonas vaginalis inositol monophosphatase, putative 0.0116 0.2423 0.3434
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0654 0.0828
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0116 0.2423 1
Loa Loa (eye worm) hypothetical protein 0.002 0.011 0.0187
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0014 0.0024
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.046 0.0782
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.011 0.0187
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Schistosoma mansoni aldehyde dehydrogenase 0.0191 0.4208 0.4208
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0122 0.0044
Schistosoma mansoni thyroid hormone receptor 0.0033 0.0415 0.0415
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0142 0.3029 0.5147
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0033 0.0415 0.0415
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0092 0.0026
Loa Loa (eye worm) hypothetical protein 0.0033 0.0415 0.0705
Brugia malayi hypothetical protein 0.0017 0.0044 0.0076
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0044 0.0044
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0507 0.1818
Echinococcus granulosus cpg binding protein 0.0096 0.1925 0.3272
Schistosoma mansoni polycystin 1-related 0.002 0.011 0.011
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0415 0.0705
Trichomonas vaginalis esterase, putative 0.0037 0.0507 0.0611
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0302 0.6879 1
Schistosoma mansoni hypothetical protein 0.0035 0.046 0.046
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0104 0.213 0.3963
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.3098 0.5266
Brugia malayi hypothetical protein 0.002 0.011 0.0187
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0116 0.2423 0.5674
Schistosoma mansoni cpg binding protein 0.009 0.1801 0.1801
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0415 0.0705
Loa Loa (eye worm) hypothetical protein 0.0017 0.0044 0.0076
Mycobacterium ulcerans beta-lactamase 0.0037 0.0507 0.1032
Schistosoma mansoni lipoxygenase 0.012 0.2503 0.2503
Schistosoma mansoni hypothetical protein 0.002 0.011 0.011
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0116 0.2423 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.6879 1
Leishmania major trypanothione reductase 0.0039 0.0568 0.1179
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0394 0.0394
Leishmania major hypothetical protein, conserved 0.0037 0.0507 0.1032
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.2133 0.3626
Onchocerca volvulus 0.0053 0.0905 0.2055
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0092 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0044
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0861
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0142 0.3029 0.5147
Mycobacterium ulcerans lipase LipD 0.0037 0.0507 0.1032
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0028 0.0301 0.0512
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0033 0.0415 0.0705
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0061 0.1084 0.1843
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.3098 0.3098
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0747 0.0966
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0394 0.067
Loa Loa (eye worm) hypothetical protein 0.0033 0.0415 0.0705
Mycobacterium ulcerans aldehyde dehydrogenase 0.0191 0.4208 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0122 0.0044
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0092 0.1247
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0507 0.0611
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0693 0.1178
Schistosoma mansoni cpg binding protein 0.0096 0.1925 0.1925
Loa Loa (eye worm) hypothetical protein 0.0019 0.0081 0.0138
Schistosoma mansoni hypothetical protein 0.0016 0.0014 0.0014
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0033 0.0415 0.0705
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0507 0.0807
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.011 0.0187
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.011 0.0187
Giardia lamblia DINP protein human, muc B family 0.0061 0.1084 0.1476
Trypanosoma brucei unspecified product 0.0061 0.1084 0.4285
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.058 0.0986
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0089 0.177 0.3263
Echinococcus granulosus survival motor neuron protein 1 0.0261 0.5884 1
Brugia malayi F/Y-rich N-terminus family protein 0.0038 0.0543 0.0922
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0394 0.5197
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0747 0.1614
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0415 0.0705
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0145 0.3098 0.5266
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Brugia malayi hypothetical protein 0.0127 0.2668 0.4535
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0033 0.0415 0.0705
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.011 0.1335
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0192 0.4236 0.4236
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.6879 1
Echinococcus granulosus GPCR family 2 0.0016 0.0014 0.0024
Schistosoma mansoni nuclear hormone receptor 0.0033 0.0415 0.0415
Schistosoma mansoni DNA polymerase eta 0.0061 0.1084 0.1084
Echinococcus granulosus histone acetyltransferase KAT2B 0.0154 0.3324 0.5648
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0507 0.0807
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0044
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0022 0.0169 0.0287
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.3098 0.5266
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0507 0.1032
Brugia malayi Doublecortin family protein 0.002 0.011 0.0187
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Giardia lamblia PHD finger protein 15 0.0032 0.0394 0.046
Loa Loa (eye worm) hypothetical protein 0.0017 0.0044 0.0076
Onchocerca volvulus Protein ultraspiracle homolog 0.0033 0.0415 0.0942
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0033 0.0415 0.0705
Loa Loa (eye worm) hypothetical protein 0.0051 0.0844 0.1435
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0633 0.2357
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0148 0.3171 0.7488
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0507 0.0611
Brugia malayi Steroid receptor seven-up type 2 0.0033 0.0415 0.0705
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.1084 0.4285
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0507 0.0807
Plasmodium falciparum LCCL domain-containing protein 0.002 0.011 0.1528
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0014 0.0024
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.012 0.2503 0.4254
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0507 0.1032
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0044
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.011 0.0187
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0507 0.0807
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0033 0.0415 0.0415
Mycobacterium tuberculosis Conserved hypothetical protein 0.0061 0.1084 0.193
Mycobacterium ulcerans DNA polymerase IV 0.0061 0.1084 0.2432
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0568 0.2079
Schistosoma mansoni hypothetical protein 0.0032 0.0394 0.0394
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0122 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0033 0.0415 0.0705
Schistosoma mansoni inositol monophosphatase 0.0116 0.2423 0.2423
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0033 0.0415 0.0705
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0099 0.2009 0.3728
Plasmodium falciparum phd finger protein, putative 0.0032 0.0394 0.5951
Echinococcus multilocularis FTZ F1 alpha 0.0033 0.0415 0.0705
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0089 0.177 0.3263
Mycobacterium tuberculosis Conserved protein 0.0037 0.0507 0.0807
Schistosoma mansoni lipoxygenase 0.0084 0.1638 0.1638
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0044
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0044 0.0076
Loa Loa (eye worm) hypothetical protein 0.0127 0.2668 0.4535
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0116 0.2423 0.3434
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0844 0.1435
Brugia malayi nuclear hormone receptor 0.0033 0.0415 0.0705
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0507 0.0807
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.3098 0.5266
Plasmodium vivax DNA repair protein REV1, putative 0.0019 0.0081 0.0942
Brugia malayi hypothetical protein 0.0261 0.5884 1
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0693 0.1178
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0033 0.0415 0.0705
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0033 0.0415 0.0705
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0124 0.2614 0.2614
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0033 0.0415 0.0705
Brugia malayi ImpB/MucB/SamB family protein 0.0061 0.1084 0.1843
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0573 0.0573
Loa Loa (eye worm) hypothetical protein 0.0199 0.4404 0.7485
Giardia lamblia Fructose-bisphosphate aldolase 0.0302 0.6879 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.6879 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0844 0.1435
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0145 0.3098 0.5266
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0568 0.0926
Schistosoma mansoni rab6-interacting 0.002 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0861
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0014 0.0024
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0415 0.0415
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0022 0.0169 0.0287
Entamoeba histolytica hypothetical protein 0.0039 0.0573 0.0709
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0122 0.0044
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0555 0.0943
Toxoplasma gondii histone lysine methyltransferase SET1 0.0175 0.3837 0.9102
Echinococcus multilocularis peregrin 0.0036 0.0487 0.0828
Loa Loa (eye worm) hypothetical protein 0.0032 0.0394 0.067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0033 0.0415 0.0705
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0415 0.0705
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0679 0.0679
Schistosoma mansoni RAR-like nuclear receptor 0.0033 0.0415 0.0415
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0022 0.0169 0.0287
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Toxoplasma gondii ABC1 family protein 0.0037 0.0507 0.1032
Onchocerca volvulus Huntingtin homolog 0.0127 0.2668 0.6058
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0044
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0099 0.2009 0.5637
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0092 0.0046
Onchocerca volvulus 0.0037 0.0507 0.1151
Mycobacterium ulcerans aldehyde dehydrogenase 0.0191 0.4208 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0573 0.0974
Schistosoma mansoni hypothetical protein 0.0016 0.0014 0.0014
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0122 0.0044
Schistosoma mansoni jumonji domain containing protein 0.0083 0.1619 0.1619
Onchocerca volvulus 0.0037 0.0507 0.1151
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0033 0.0415 0.0415
Onchocerca volvulus Huntingtin homolog 0.0127 0.2668 0.6058
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0654 0.0843
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0044 0.0076
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0142 0.3029 0.5147
Echinococcus multilocularis ecdysone induced protein 78C 0.0033 0.0415 0.0705
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0116 0.2423 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0014 0.0024
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0044 0.0044
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0061 0.1084 0.1462
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.0017 0.0044 0.0076
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0099 0.2009 0.3728
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0044
Loa Loa (eye worm) hypothetical protein 0.0016 0.0003 0.0005
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0415 0.0705
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0507 0.6731
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0089 0.177 0.3263
Onchocerca volvulus 0.002 0.011 0.025
Echinococcus granulosus dna polymerase kappa 0.0061 0.1084 0.1843
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0033 0.0415 0.0705
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0507 0.0611
Mycobacterium tuberculosis Probable dehydrogenase 0.0089 0.177 0.3263
Brugia malayi ImpB/MucB/SamB family protein 0.0061 0.1084 0.1843
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0415 0.0705
Echinococcus granulosus ecdysone induced protein 78C 0.0033 0.0415 0.0705
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.058 0.0986
Loa Loa (eye worm) hypothetical protein 0.0017 0.0044 0.0076
Schistosoma mansoni hypothetical protein 0.0016 0.0014 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Entamoeba histolytica hypothetical protein 0.0039 0.0573 0.0709
Echinococcus multilocularis thyroid hormone receptor alpha 0.0033 0.0415 0.0705
Schistosoma mansoni survival motor neuron protein 0.0053 0.0905 0.0905
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0905 0.1538
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0394 0.0758
Loa Loa (eye worm) CXXC zinc finger family protein 0.009 0.1801 0.3061
Treponema pallidum fructose-bisphosphate aldolase 0.0302 0.6879 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0028 0.0301 0.0512
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0415 0.0705
Schistosoma mansoni hypothetical protein 0.0039 0.0573 0.0573
Onchocerca volvulus Bile acid receptor homolog 0.0033 0.0415 0.0942
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0092 0.0046
Loa Loa (eye worm) hypothetical protein 0.0033 0.0415 0.0705
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.6879 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.3098 0.3098
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0116 0.2423 0.3434
Brugia malayi beta-lactamase family protein 0.0037 0.0507 0.0861
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.3098 0.3098
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0122 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0044
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0089 0.177 0.4741
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0116 0.2423 0.5674
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0861
Onchocerca volvulus 0.002 0.011 0.025
Loa Loa (eye worm) beta-lactamase 0.0037 0.0507 0.0861
Brugia malayi Inositol-1 0.0116 0.2423 0.4117
Brugia malayi steroid hormone receptor 0.0033 0.0415 0.0705
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0148 0.3171 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0033 0.0415 0.0705
Brugia malayi photoreceptor-specific nuclear receptor 0.0033 0.0415 0.0705
Brugia malayi nuclear receptor RXR 0.0017 0.0044 0.0076
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.1208 0.2053
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0191 0.4208 0.7151
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0033 0.0415 0.0705
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.1084 0.4285
Plasmodium falciparum glutathione reductase 0.0039 0.0568 0.8657
Echinococcus multilocularis survival motor neuron protein 1 0.0261 0.5884 1
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0044 0.0076
Echinococcus multilocularis dna polymerase eta 0.0061 0.1084 0.1843
Toxoplasma gondii exonuclease III APE 0.0019 0.0092 0.0026
Schistosoma mansoni hypothetical protein 0.0053 0.0905 0.0905
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0092 0.0016
Echinococcus granulosus FTZ F1 alpha 0.0033 0.0415 0.0705
Brugia malayi Bromodomain containing protein 0.0036 0.0487 0.0828
Brugia malayi beta-lactamase family protein 0.0037 0.0507 0.0861
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0394 0.0758
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0033 0.0415 0.0705
Brugia malayi beta-lactamase 0.0037 0.0507 0.0861
Onchocerca volvulus Alhambra homolog 0.0032 0.0394 0.0895
Schistosoma mansoni loxhd1 0.002 0.011 0.011
Toxoplasma gondii aldehyde dehydrogenase 0.0191 0.4208 1
Schistosoma mansoni ap endonuclease 0.0019 0.0092 0.0092
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0122 0.0044
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0507 0.0861
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.5234 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0122 0.0044
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0507 0.0861
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0044
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0116 0.2423 0.5674
Schistosoma mansoni steroid hormone receptor ad4bp 0.0033 0.0415 0.0415
Entamoeba histolytica hypothetical protein 0.0039 0.0573 0.0709
Loa Loa (eye worm) hypothetical protein 0.0061 0.1084 0.1843
Plasmodium falciparum thioredoxin reductase 0.0039 0.0568 0.8657
Brugia malayi polk-prov protein 0.0019 0.0081 0.0138
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.3098 0.5266
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0116 0.2423 0.3434
Schistosoma mansoni rab6-interacting 0.002 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0861
Loa Loa (eye worm) hypothetical protein 0.0127 0.2668 0.4535
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.6879 1
Echinococcus multilocularis cpg binding protein 0.0096 0.1925 0.3272
Loa Loa (eye worm) glutathione reductase 0.0039 0.0568 0.0965
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 0.0044
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0092 0.0046
Trichomonas vaginalis helicase, putative 0.0021 0.0122 0.0044
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0044 0.0076
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0014 0.0024

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 304 nM Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay ChEMBL. 20356736
EC50 (functional) > 25000 nM Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay ChEMBL. 20356736
Emax (functional) = 70 % Agonist activity against human Gal4-fussed PPARalpha by luciferase reporter gene assay relative to finofibrate ChEMBL. 20356736

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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