Detailed information for compound 1000404

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.469 | Formula: C22H30O7
  • H donors: 3 H acceptors: 5 LogP: 0.47 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@H]1CCC([C@@H]2[C@]31CO[C@@]([C@H]2O)([C@]12[C@H]3[C@@H](O)C[C@H](C1)C(=C)C2=O)O)(C)C
  • InChi: 1S/C22H30O7/c1-10-12-7-13(24)15-20-9-28-22(27,21(15,8-12)17(10)25)18(26)16(20)19(3,4)6-5-14(20)29-11(2)23/h12-16,18,24,26-27H,1,5-9H2,2-4H3/t12-,13+,14+,15+,16-,18+,20+,21+,22+/m1/s1
  • InChiKey: UGIAYRYHEATYSR-XNZHLAQLSA-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 0.0021 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0205 0.0923 0.0923
Schistosoma mansoni ets-related 0.0233 0.1059 0.1059
Entamoeba histolytica hypothetical protein 0.0073 0.0281 0.0238
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0025 0.0025
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0025 0.0025
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.012 0.012
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0118 0.0118
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0143 0.0143
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.012 0.0077
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0131 0.0086
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0602 0.2862 0.283
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.2063 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0212 0.0212
Echinococcus multilocularis smad 0.0025 0.0043 0.0043
Echinococcus granulosus geminin 0.1022 0.4914 0.4914
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0212 0.0212
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0221 0.0416
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0118 0.0265
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0114 0.0114
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0067 0.0248 0.0248
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0221 0.0221
Mycobacterium tuberculosis Conserved protein 0.007 0.0266 0.052
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0143 0.0143
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.2063 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.012 0.012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0025 0.0025
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0025 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0043 0.0043
Loa Loa (eye worm) transcription factor SMAD2 0.0361 0.1684 0.1684
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.0266 0.052
Echinococcus multilocularis snurportin 1 0.033 0.1533 0.1533
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.012 0.012
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0071 0.0071
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0025 0.0025
Brugia malayi Importin beta-1 subunit 0.0031 0.0074 0.0074
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0266 0.0221
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0025 0.0025
Entamoeba histolytica hypothetical protein 0.0073 0.0281 0.0238
Schistosoma mansoni hypothetical protein 0.0099 0.0408 0.0408
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.012 0.0179
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0025 0.0043 0.0043
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0294 0.1359 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0212 0.0212
Echinococcus granulosus snurportin 1 0.033 0.1533 0.1533
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0025 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0025 0.0025
Brugia malayi ImpB/MucB/SamB family protein 0.0067 0.0248 0.0248
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.0266 0.052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0602 0.2862 0.283
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.012 0.012
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0025 0.0025
Mycobacterium ulcerans hypothetical protein 0.007 0.0266 0.052
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0095 0.0386 0.0386
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0221 0.0416
Brugia malayi Muscleblind-like protein 0.0308 0.1425 0.1425
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0095 0.0386 0.0386
Brugia malayi ecdysteroid receptor 0.0021 0.0025 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.012 0.012
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.007 0.0266 0.0266
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0602 0.2862 0.283
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0266 0.0266
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0221 0.0221
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0266 0.0221
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.012 0.012
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0076 0.0076
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0221 0.0416
Mycobacterium ulcerans lipase LipD 0.007 0.0266 0.052
Brugia malayi MH1 domain containing protein 0.0025 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0031 0.0076 0.0076
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.012 0.012
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.0266 0.0266
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.0612 0.0612
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.012 0.012
Echinococcus multilocularis microtubule associated protein 2 0.0694 0.3314 0.3314
Brugia malayi Calcitonin receptor-like protein seb-1 0.03 0.1386 0.1386
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0025 0.0025
Mycobacterium tuberculosis Conserved protein 0.007 0.0266 0.052
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0118 0.0073
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0059 0.0059
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0043 0.0043
Toxoplasma gondii exonuclease III APE 0.004 0.0118 0.0118
Mycobacterium ulcerans DNA polymerase IV 0.004 0.012 0.0179
Echinococcus multilocularis dna polymerase eta 0.0067 0.0248 0.0248
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0602 0.2862 0.283
Brugia malayi jmjC domain containing protein 0.0059 0.0212 0.0212
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0076 0.0076
Schistosoma mansoni smad1 5 8 and 0.0025 0.0043 0.0043
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0602 0.2862 0.283
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.2063 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.012 0.012
Onchocerca volvulus 0.007 0.0266 0.1732
Leishmania major DNA polymerase eta, putative 0.0067 0.0248 0.0248
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0143 0.0143
Schistosoma mansoni hypothetical protein 0.0095 0.0386 0.0386
Trichomonas vaginalis set domain proteins, putative 0.0249 0.1141 0.1101
Loa Loa (eye worm) hypothetical protein 0.007 0.0266 0.0266
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0131 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0025 0.0025
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.0631 0.0631
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0118 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0025 0.0025
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.2063 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Brugia malayi Smad1 0.0025 0.0043 0.0043
Brugia malayi Pre-SET motif family protein 0.0219 0.0993 0.0993
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0025 0.0025
Schistosoma mansoni smad1 5 8 and 0.0025 0.0043 0.0043
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0043 0.0043
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0118 0.0175
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0025 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0025 0.0025
Loa Loa (eye worm) fli-1 protein 0.0233 0.1059 0.1059
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Echinococcus granulosus importin subunit beta 1 0.0031 0.0074 0.0074
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.0631 0.0631
Onchocerca volvulus 0.0099 0.0408 0.2755
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0076 0.0076
Echinococcus multilocularis GPCR, family 2 0.0095 0.0386 0.0386
Brugia malayi Ets-domain containing protein 0.0077 0.0297 0.0297
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0074 0.0074
Echinococcus multilocularis muscleblind protein 0.0308 0.1425 0.1425
Onchocerca volvulus 0.0031 0.0076 0.0373
Schistosoma mansoni gabp alpha 0.0077 0.0297 0.0297
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0227 0.0227
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0088 0.0351 0.0351
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0118 0.0118
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0118 0.0073
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0059 0.0059
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.012 0.0075
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0294 0.1359 0.3075
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.2063 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0266 0.0221
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.012 0.012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0025 0.0025
Mycobacterium leprae conserved hypothetical protein 0.007 0.0266 0.1691
Loa Loa (eye worm) hypothetical protein 0.0308 0.1425 0.1425
Schistosoma mansoni hypothetical protein 0.0095 0.0386 0.0386
Schistosoma mansoni smad 0.0025 0.0043 0.0043
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.2063 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0025 0.0025
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.2063 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0361 0.1684 0.1684
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0212 0.0212
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0095 0.0386 0.0386
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0114 0.0071
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0025 0.0025
Giardia lamblia DINP protein human, muc B family 0.004 0.012 0.0006
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0306 0.1417 0.1417
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0095 0.0386 0.0386
Echinococcus granulosus smad 0.0025 0.0043 0.0043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0143 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.012 0.012
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.2063 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0076 0.0076
Schistosoma mansoni hypothetical protein 0.1022 0.4914 0.4914
Trypanosoma brucei unspecified product 0.0028 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0073 0.0281 0.0281
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0227 0.0227
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0118 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.0266 0.052
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0025 0.0025
Mycobacterium tuberculosis Probable hydrolase 0.007 0.0266 0.052
Loa Loa (eye worm) pigment dispersing factor receptor c 0.03 0.1386 0.1386
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0045 0.0045
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.012 0.012
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0602 0.2862 0.283
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0143 0.0143
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0227 0.0227
Entamoeba histolytica hypothetical protein 0.0025 0.0045 0.0002
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0076 0.0076
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0025 0.0025
Brugia malayi MH1 domain containing protein 0.0025 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.007 0.0266 0.0266
Brugia malayi Fli-1 protein 0.0233 0.1059 0.1059
Schistosoma mansoni DNA polymerase eta 0.0067 0.0248 0.0248
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.012 0.012
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0039 0.0113 0.0113
Brugia malayi beta-lactamase 0.007 0.0266 0.0266
Echinococcus granulosus microtubule associated protein 2 0.0694 0.3314 0.3314
Schistosoma mansoni hypothetical protein 0.0095 0.0386 0.0386
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0212 0.0212
Onchocerca volvulus 0.0088 0.0351 0.2342
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.012 0.0075
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0025 0.0025
Schistosoma mansoni survival motor neuron protein 0.0099 0.0408 0.0408
Schistosoma mansoni hypothetical protein 0.1022 0.4914 0.4914
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0025 0.0025
Leishmania major hypothetical protein, conserved 0.007 0.0266 0.0266
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0118 0.0175
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.012 0.012
Echinococcus granulosus Smad4 0.0025 0.0043 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0025 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0266 0.0266
Schistosoma mansoni hypothetical protein 0.0205 0.0923 0.0923
Echinococcus granulosus GPCR family 2 0.0095 0.0386 0.0386
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.012 0.012
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0266 0.0266
Loa Loa (eye worm) RNA binding protein 0.0062 0.0227 0.0227
Echinococcus granulosus dna polymerase kappa 0.004 0.012 0.012
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.2063 1 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0025 0.0025
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0025 0.0025
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0095 0.0386 0.0386
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0227 0.0227
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0025 0.0025
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0212 0.0212
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0448 0.2113 0.4836
Leishmania major phosphopantetheinyl transferase-like protein 0.0025 0.0043 0.0043
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.012 0.012
Echinococcus granulosus L aminoadipate semialdehyde 0.0088 0.0351 0.0351
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0025 0.0025
Brugia malayi Ets-domain containing protein 0.0077 0.0297 0.0297
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0043 0.0043
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0266 0.0266
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0227 0.0227
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0901 0.4322 1
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.2063 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0025 0.0025
Giardia lamblia Fructose-bisphosphate aldolase 0.0602 0.2862 0.278
Onchocerca volvulus 0.0249 0.1141 0.8021
Schistosoma mansoni microtubule-associated protein tau 0.0694 0.3314 0.3314
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.012 0.012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0025 0.0025
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.007 0.0266 0.0266
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0088 0.0351 0.0351
Brugia malayi steroid hormone receptor 0.0021 0.0025 0.0025
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative 0.2063 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0025 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.012 0.012
Brugia malayi Pre-SET motif family protein 0.0031 0.0076 0.0076
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.007 0.0266 0.0266
Loa Loa (eye worm) Smad1 0.0025 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0308 0.1425 0.1425
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0143 0.0143
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.0993 0.0993
Leishmania major DNA polymerase eta, putative 0.0039 0.0113 0.0113
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0077 0.0297 0.0297
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0266 0.0221
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0043 0.0043
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.012 0.012
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0025 0.0025
Trypanosoma brucei unspecified product 0.0028 0.0059 0.0059
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0281 0.0281
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0025 0.0025
Mycobacterium leprae Probable lipase LipE 0.007 0.0266 0.1691
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.012 0.012
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0025 0.0025
Loa Loa (eye worm) acetyltransferase 0.0145 0.0631 0.0631
Schistosoma mansoni hypothetical protein 0.0095 0.0386 0.0386
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0227 0.0227
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0074 0.0074
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0602 0.2862 0.2831
Entamoeba histolytica hypothetical protein 0.0073 0.0281 0.0238
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0025 0.0025
Brugia malayi MH2 domain containing protein 0.0361 0.1684 0.1684
Treponema pallidum fructose-bisphosphate aldolase 0.0602 0.2862 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0043 0.0043
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0076 0.0076
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0212 0.0212
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0025 0.0025
Loa Loa (eye worm) latrophilin receptor protein 2 0.0095 0.0386 0.0386
Echinococcus multilocularis geminin 0.1022 0.4914 0.4914
Schistosoma mansoni Smad4 0.0025 0.0043 0.0043
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0025 0.0025
Brugia malayi jmjC domain containing protein 0.0059 0.0212 0.0212
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0043 0.0043
Brugia malayi latrophilin 2 splice variant baaae 0.0205 0.0923 0.0923
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0043 0.0043
Schistosoma mansoni coup transcription factor 0.0021 0.0025 0.0025
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0131 0.0131
Loa Loa (eye worm) beta-lactamase 0.007 0.0266 0.0266
Brugia malayi TAR-binding protein 0.0062 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.007 0.0266 0.0266
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0266 0.0266
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0025 0.0043 0.0043
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0118 0.0075
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0227 0.0227
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.0266 0.0266
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0602 0.2862 0.283
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.03 0.1386 0.1386
Echinococcus granulosus GA binding protein alpha chain 0.0077 0.0297 0.0297
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.033 0.1533 0.1533
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0131 0.0131
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.0266 0.0266
Brugia malayi Latrophilin receptor protein 2 0.0095 0.0386 0.0386
Mycobacterium ulcerans DNA polymerase IV 0.004 0.012 0.0179
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0099 0.0408 0.0408
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0095 0.0386 0.0386
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.2063 1 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0088 0.0351 0.0351
Leishmania major importin beta-1 subunit, putative 0.0025 0.0045 0.0045
Brugia malayi RNA, U transporter 1 0.0088 0.0352 0.0352
Echinococcus multilocularis Smad4 0.0025 0.0043 0.0043
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0221 0.0221
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0118 0.0004
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0025 0.0025
Echinococcus multilocularis survival motor neuron protein 1 0.0487 0.2301 0.2301
Echinococcus multilocularis 0.2063 1 1
Echinococcus multilocularis GA binding protein alpha chain 0.0077 0.0297 0.0297
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0294 0.1359 0.3075
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.012 0.0179
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0118 0.0118
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.033 0.1533 0.1533
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.0631 0.0631
Brugia malayi hypothetical protein 0.0073 0.0281 0.0281
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0131 0.0131
Brugia malayi nuclear hormone receptor 0.0021 0.0025 0.0025
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1651 0.7987 0.7987
Loa Loa (eye worm) hypothetical protein 0.0088 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0031 0.0074 0.0074
Brugia malayi hypothetical protein 0.0487 0.2301 0.2301
Entamoeba histolytica hypothetical protein 0.0073 0.0281 0.0238
Echinococcus granulosus survival motor neuron protein 1 0.0487 0.2301 0.2301
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Brugia malayi RNA binding protein 0.0062 0.0227 0.0227
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0025 0.0025
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.0266 0.0266
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.2063 1 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0076 0.0076
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0043 0.0043
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.0266 0.052
Echinococcus multilocularis muscleblind protein 1 0.0308 0.1425 0.1425
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0227 0.0227
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0025 0.0025
Echinococcus granulosus muscleblind protein 0.0308 0.1425 0.1425
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0281 0.0281
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.0266 0.052
Brugia malayi beta-lactamase family protein 0.007 0.0266 0.0266
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0221 0.0221
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0266 0.0221
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0025 0.0025
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0118 0.0118
Schistosoma mansoni ap endonuclease 0.004 0.0118 0.0118
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0025 0.0025
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.2063 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0067 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0487 0.2301 0.2301
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0143 0.0143
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0076 0.0076
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0025 0.0025
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0118 0.0118
Brugia malayi beta-lactamase family protein 0.007 0.0266 0.0266
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0143 0.0143
Onchocerca volvulus 0.007 0.0266 0.1732
Onchocerca volvulus 0.007 0.0266 0.1732
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0025 0.0025
Toxoplasma gondii ABC1 family protein 0.007 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.03 0.1386 0.1386
Mycobacterium tuberculosis Conserved protein 0.007 0.0266 0.052
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0118 0.0118
Trypanosoma brucei DNA polymerase eta, putative 0.0067 0.0248 0.0248
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.2063 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0602 0.2862 0.2831
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0118 0.0118
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.2063 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.0113 0.0113
Plasmodium vivax hypothetical protein, conserved 0.007 0.0266 0.0266
Echinococcus granulosus tar DNA binding protein 0.0062 0.0227 0.0227
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.0266 0.052
Echinococcus multilocularis dna polymerase kappa 0.004 0.012 0.012
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0025 0.0025
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0025 0.0025
Brugia malayi MH2 domain containing protein 0.0025 0.0043 0.0043
Mycobacterium ulcerans hypothetical protein 0.0901 0.4322 1
Schistosoma mansoni importin beta-1 0.0031 0.0074 0.0074
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0074 0.0074
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0025 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0025 0.0025
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.0266 0.052
Trypanosoma brucei unspecified product 0.004 0.012 0.012
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0025 0.0025
Echinococcus granulosus dna polymerase eta 0.0067 0.0248 0.0248
Plasmodium falciparum importin beta, putative 0.0031 0.0074 0.0074
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.012 0.012
Brugia malayi MH2 domain containing protein 0.0025 0.0043 0.0043
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0281 0.0281
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0074 0.0074
Schistosoma mansoni smad1 5 8 and 0.0025 0.0043 0.0043
Brugia malayi hypothetical protein 0.0306 0.1417 0.1417
Loa Loa (eye worm) hypothetical protein 0.0066 0.0243 0.0243
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.0266 0.052
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0025 0.0025
Onchocerca volvulus 0.0306 0.1417 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0131 0.0131
Schistosoma mansoni ap endonuclease 0.004 0.0118 0.0118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0025 0.0025
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0118 0.0118
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0602 0.2862 0.283
Trichomonas vaginalis esterase, putative 0.007 0.0266 0.0221
Plasmodium vivax importin-beta 2, putative 0.0031 0.0074 0.0074
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.012 0.012
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0221 0.0416
Leishmania major DNA polymerase kappa, putative 0.004 0.012 0.012
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0118 0.0118
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0212 0.0212
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0227 0.0227
Mycobacterium ulcerans beta-lactamase 0.007 0.0266 0.052
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0221 0.0221
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0221 0.0221
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0025 0.0025

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM Cytotoxicity against human A549 cells after 72 hrs by SRB assay ChEMBL. 16643043
IC50 (functional) > 100 uM Cytotoxicity against human HT29 cells after 72 hrs by SRB assay ChEMBL. 16643043
IC50 (functional) > 100 uM Cytotoxicity against human K562 cells after 72 hrs by SRB assay ChEMBL. 16643043

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

No literature references available for this target.

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