Detailed information for compound 1187158

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 666.625 | Formula: C34H34O14
  • H donors: 6 H acceptors: 10 LogP: 2.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 3
  • SMILES: OC[C@@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1OC(=O)C)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)CO)OC(=O)C)C
  • InChi: 1S/C34H34O14/c1-13-9-19(39)25-29(43)23-21(47-33(25,11-35)31(13)45-15(3)37)7-5-17(27(23)41)18-6-8-22-24(28(18)42)30(44)26-20(40)10-14(2)32(46-16(4)38)34(26,12-36)48-22/h5-8,13-14,31-32,35-36,39-42H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m1/s1
  • InChiKey: LMADRJRTQXNOEP-FNCICBJWSA-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 DNA topoisomerase I 0.0215 0.1279 0.49
Onchocerca volvulus 0.0073 0.0383 0.1282
Schistosoma mansoni cpg binding protein 0.0032 0.0127 0.014
Loa Loa (eye worm) hypothetical protein 0.0073 0.0383 0.1467
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.0424 0.2597 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0238 0.0796
Trypanosoma brucei ISWI complex protein 0.0016 0.0024 0.0088
Brugia malayi beta-lactamase 0.0073 0.0383 0.1464
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.1133 0.1133
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0102 0.0565 1
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0076 0.0076
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0113 0.0432
Loa Loa (eye worm) hypothetical protein 0.0017 0.0032 0.0121
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.003 0.0111 0.0371
Trypanosoma brucei DNA topoisomerase ii 0.0023 0.0068 0.0259
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0023 0.0068 0.008
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0023 0.0068 0.0226
Brugia malayi Bromodomain containing protein 0.0044 0.0198 0.0755
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0059 0.0222
Loa Loa (eye worm) DNA topoisomerase I 0.0215 0.1279 0.4902
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.015 0.0746
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.037 0.0426
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0035 0.0032
Echinococcus granulosus neutral alpha glucosidase AB 0.0033 0.0133 0.0157
Schistosoma mansoni hypothetical protein 0.0047 0.0218 0.0247
Mycobacterium ulcerans hypothetical protein 0.0023 0.0068 0.0691
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0059 0.0516
Schistosoma mansoni survival motor neuron protein 0.0048 0.0225 0.0256
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0113 0.0432
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0035 0.0035
Brugia malayi Glycosyl hydrolases family 31 protein 0.0151 0.0871 0.3337
Brugia malayi MH2 domain containing protein 0.0129 0.0735 0.2816
Giardia lamblia DNA topoisomerase II 0.0023 0.0068 0.0183
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0053 0.0257 0.1623
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0383 0.0383
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0238 0.0271
Loa Loa (eye worm) raf kinase 0.0043 0.0193 0.074
Loa Loa (eye worm) hypothetical protein 0.0235 0.1406 0.5388
Schistosoma mansoni DNA topoisomerase II 0.0023 0.0068 0.0071
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0113 0.0656
Plasmodium falciparum DNA topoisomerase 2 0.0023 0.0068 0.0295
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0102 0.0565 0.1892
Chlamydia trachomatis DNA gyrase subunit B 0.0023 0.0068 0.069
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0059 0.1028
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0068 0.1193
Schistosoma mansoni microtubule-associated protein tau 0.136 0.849 1
Schistosoma mansoni DNA topoisomerase type I 0.0143 0.0825 0.0963
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0218 0.0831
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0238 0.0281
Chlamydia trachomatis DNA topoisomerase I 0.0102 0.0565 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0383 0.0442
Loa Loa (eye worm) hypothetical protein 0.0012 0.0001 0.0004
Schistosoma mansoni alpha glucosidase 0.0033 0.0133 0.0147
Plasmodium falciparum DNA topoisomerase 3, putative 0.0102 0.0565 0.4273
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.0836 0.0976
Leishmania major DNA topoisomerase IB, large subunit 0.0143 0.0825 0.3173
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0304 0.0304
Toxoplasma gondii ABC1 family protein 0.0073 0.0383 0.2654
Schistosoma mansoni hypothetical protein 0.0048 0.0225 0.0256
Entamoeba histolytica DNA topoisomerase II, putative 0.0023 0.0068 0.1192
Loa Loa (eye worm) hypothetical protein 0.0074 0.039 0.1496
Loa Loa (eye worm) beta-lactamase 0.0073 0.0383 0.1467
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0076 0.029
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.008 0.0425 0.0491
Schistosoma mansoni hypothetical protein 0.0047 0.0218 0.0247
Mycobacterium tuberculosis Conserved protein 0.0073 0.0383 0.1259
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.015 0.2224
Trichomonas vaginalis alpha-glucosidase, putative 0.0033 0.0133 0.0444
Treponema pallidum DNA topoisomerase I (topA) 0.0102 0.0565 1
Plasmodium vivax DNA topoisomerase II, putative 0.0023 0.0068 0.0295
Loa Loa (eye worm) hypothetical protein 0.0101 0.056 0.2147
Onchocerca volvulus 0.0485 0.2979 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0023 0.0068 0.0259
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.0361 0.2478
Schistosoma mansoni bromodomain containing protein 0.0072 0.0375 0.0432
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0068 0.0691
Loa Loa (eye worm) hypothetical protein 0.005 0.0238 0.0913
Echinococcus granulosus zinc finger protein 0.0026 0.0086 0.0101
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0113 0.0445
Loa Loa (eye worm) hypothetical protein 0.0057 0.0282 0.108
Schistosoma mansoni zinc finger protein 0.0016 0.0024 0.0018
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0126 0.1167
Mycobacterium leprae Probable lipase LipE 0.0073 0.0383 0.6338
Echinococcus multilocularis neutral alpha glucosidase AB 0.0033 0.0133 0.0133
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0053 0.0257 0.0293
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.008 0.0425 0.0425
Plasmodium vivax DNA topoisomerase 3, putative 0.0102 0.0565 0.4273
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.0735 0.2819
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0218 0.0218
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0151 0.0871 0.334
Plasmodium vivax DNA gyrase subunit B, putative 0.0023 0.0068 0.0295
Loa Loa (eye worm) hypothetical protein 0.0023 0.0068 0.0262
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0165 0.1067
Loa Loa (eye worm) hypothetical protein 0.0046 0.0214 0.0821
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0059 0.0118
Loa Loa (eye worm) hypothetical protein 0.0017 0.0032 0.0121
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.015 0.2644
Trichomonas vaginalis sucrase-isomaltase, putative 0.0033 0.0133 0.0444
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0467 0.2862 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0151 0.0871 0.1026
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0059 0.0226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.1133 0.1326
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0033 0.0133 0.2345
Schistosoma mansoni hypothetical protein 0.0309 0.1868 0.2193
Trypanosoma brucei glucosidase, putative 0.0033 0.0133 0.0509
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0304 0.098
Onchocerca volvulus 0.0073 0.0383 0.1282
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.0836 0.3201
Loa Loa (eye worm) hypothetical protein 0.0023 0.0068 0.0262
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0008 0.0008
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.0351 0.0414
Brugia malayi PHD-finger family protein 0.0031 0.0121 0.046
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0165 0.2089
Brugia malayi DNA topoisomerase III 0.0102 0.0565 0.216
Echinococcus granulosus geminin 0.0864 0.5365 0.632
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.1406 0.1406
Brugia malayi Pre-SET motif family protein 0.0426 0.2609 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.1133 0.1326
Onchocerca volvulus 0.0062 0.0312 0.1043
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0238 0.0238
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0238 0.0913
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0113 0.0432
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0023 0.0068 0.0151
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0059 0.0223
Echinococcus granulosus GPCR family 2 0.0047 0.0218 0.0257
Schistosoma mansoni DNA topoisomerase type I 0.0143 0.0825 0.0963
Schistosoma mansoni cpg binding protein 0.0036 0.0151 0.0169
Brugia malayi beta-lactamase family protein 0.0073 0.0383 0.1464
Mycobacterium ulcerans lipase LipD 0.0073 0.0383 0.6591
Plasmodium falciparum DNA gyrase subunit B 0.0023 0.0068 0.0295
Loa Loa (eye worm) inositol-1 0.0036 0.015 0.0575
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0304 0.2004
Schistosoma mansoni inositol monophosphatase 0.0036 0.015 0.0167
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.015 0.0177
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0023 0.0068 0.0076
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0053 0.0257 0.0303
Onchocerca volvulus 0.0053 0.0257 0.0859
Leishmania major hypothetical protein, conserved 0.0212 0.1257 0.4838
Echinococcus multilocularis DNA topoisomerase 1 0.0215 0.1279 0.1279
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0238 0.0281
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0202 0.1174
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0383 0.1259
Mycobacterium tuberculosis Conserved protein 0.0024 0.0076 0.0179
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0068 0.1193
Onchocerca volvulus 0.0023 0.0068 0.0226
Leishmania major hypothetical protein, conserved 0.0073 0.0383 0.1471
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0113 0.0656
Brugia malayi hypothetical protein 0.002 0.0046 0.0171
Leishmania major DNA topoisomerase III, putative 0.0102 0.0565 0.217
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.015 0.05
Toxoplasma gondii DNA topoisomerase 2, putative 0.0023 0.0068 0.0076
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0218 0.0257
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.0836 0.0836
Echinococcus multilocularis lysosomal alpha glucosidase 0.0151 0.0871 0.0871
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0202 0.1174
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0383 0.2816
Loa Loa (eye worm) hypothetical protein 0.0017 0.0032 0.0121
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0023 0.0068 0.0258
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0059 0.0195
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0383 0.1259
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0383 0.1282
Loa Loa (eye worm) hypothetical protein 0.003 0.0113 0.0434
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0202 0.0675
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0023 0.0068 0.0183
Loa Loa (eye worm) TOPoisomerase family member 0.0023 0.0068 0.0262
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.1133 0.1334
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0218 0.0257
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0076 0.029
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0312 0.0358
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.1133 0.1133
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0282 0.0323
Mycobacterium ulcerans hypothetical protein 0.0024 0.0076 0.0841
Brugia malayi Inositol-1 0.0036 0.015 0.0571
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0076 0.0841
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0023 0.0068 0.0183
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0068 0.0258
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0202 0.0238
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0238 0.0238
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0383 0.1259
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0383 0.1467
Loa Loa (eye worm) hypothetical protein 0.0073 0.0383 0.1467
Brugia malayi beta-lactamase family protein 0.0073 0.0383 0.1464
Loa Loa (eye worm) hypothetical protein 0.004 0.0176 0.0676
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0068 0.1193
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0238 0.0271
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0143 0.0825 0.3173
Mycobacterium ulcerans DNA gyrase subunit B 0.0023 0.0068 0.069
Toxoplasma gondii DNA topoisomerase family protein 0.0102 0.0565 0.4144
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0083 0.0083
Giardia lamblia DNA topoisomerase III 0.0102 0.0565 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.008 0.0425 0.0491
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0202 0.0675
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0033 0.0133 0.0608
Leishmania major hypothetical protein, conserved 0.003 0.0113 0.0432
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0068 0.0259
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0068 0.0691
Trypanosoma cruzi DNA topoisomerase III, putative 0.0102 0.0565 0.217
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0023 0.0068 0.0226
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.016 0.0189
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0059 0.0221
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.0351 0.0351
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0059 0.0221
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0143 0.0825 0.3173
Onchocerca volvulus 0.0048 0.0225 0.0752
Schistosoma mansoni hypothetical protein 0.0016 0.0024 0.0018
Leishmania major DNA topoisomerase III, putative 0.0053 0.0257 0.0986
Trypanosoma brucei DNA topoisomerase IA, putative 0.0102 0.0565 0.217
Trichomonas vaginalis set domain proteins, putative 0.0485 0.2979 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0023 0.0068 0.0068
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0304 0.5104
Plasmodium falciparum topoisomerase I 0.0215 0.1279 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0033 0.0133 0.0511
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0068 0.0691
Schistosoma mansoni hypothetical protein 0.0047 0.0218 0.0247
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.0855 0.3279
Trichomonas vaginalis DNA topoisomerase II, putative 0.0023 0.0068 0.0226
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0068 0.0151
Schistosoma mansoni cpg binding protein 0.0036 0.0151 0.0169
Echinococcus multilocularis lysosomal alpha glucosidase 0.0151 0.0871 0.0871
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0383 0.0442
Brugia malayi mbt repeat family protein 0.005 0.0238 0.0909
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0383 0.1464
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0068 0.0691
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0068 0.0691
Echinococcus granulosus raf serine:threonine protein kinase 0.0043 0.0193 0.0228
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0282 0.1076
Leishmania major DNA topoisomerase type IB small subunit 0.0424 0.2597 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0425 0.1627
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0383 0.1471
Schistosoma mansoni ap endonuclease 0.0022 0.0059 0.006
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0304 0.0358
Mycobacterium tuberculosis DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (nicking-c 0.0049 0.023 0.0721
Loa Loa (eye worm) hypothetical protein 0.0017 0.0032 0.0121
Trypanosoma brucei DNA topoisomerase III, putative 0.0102 0.0565 0.217
Leishmania major alpha glucosidase II subunit, putative 0.0033 0.0133 0.0509
Trichomonas vaginalis alpha-glucosidase, putative 0.0033 0.0133 0.0444
Loa Loa (eye worm) acetyltransferase 0.0145 0.0836 0.3204
Toxoplasma gondii DNA topoisomerase I, putative 0.0215 0.1279 1
Echinococcus multilocularis geminin 0.0864 0.5365 0.5365
Schistosoma mansoni ap endonuclease 0.0022 0.0059 0.006
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0068 0.0259
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0238 0.0271
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.0855 0.3276
Loa Loa (eye worm) hypothetical protein 0.0073 0.0383 0.1467
Brugia malayi Pre-SET motif family protein 0.0062 0.0312 0.1191
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0033 0.0133 0.0444
Trichomonas vaginalis esterase, putative 0.0073 0.0383 0.1282
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0192 0.1133 0.4342
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.015 0.05
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0068 0.0691
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0126 0.0355
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.056 0.2144
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.1133 0.1334
Loa Loa (eye worm) hypothetical protein 0.0017 0.0032 0.0121
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0218 0.0831
Trypanosoma cruzi ISWI complex protein 0.0016 0.0024 0.0088
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0383 0.1259
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0068 0.0259
Echinococcus granulosus histone lysine methyltransferase setb 0.008 0.0425 0.05
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0102 0.0565 0.1892
Loa Loa (eye worm) hypothetical protein 0.005 0.0238 0.0914
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.015 0.015
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0282 0.0332
Brugia malayi GRF zinc finger family protein 0.0023 0.0068 0.0258
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0383 0.6338
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0102 0.0565 0.217
Plasmodium vivax SET domain protein, putative 0.0062 0.0312 0.2247
Trichomonas vaginalis alpha-glucosidase, putative 0.0033 0.0133 0.0444
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0059 0.0195
Echinococcus granulosus cpg binding protein 0.0036 0.0151 0.0178
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0076 0.0179
Schistosoma mansoni alpha-glucosidase 0.013 0.0739 0.0862
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0304 0.0348
Chlamydia trachomatis DNA gyrase subunit B 0.0023 0.0068 0.069
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0076 0.029
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.0062 0.0236
Loa Loa (eye worm) hypothetical protein 0.0073 0.0383 0.1467
Trypanosoma brucei hypothetical protein, conserved 0.0212 0.1257 0.4838
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0033 0.0133 0.2345
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0035 0.0032
Loa Loa (eye worm) hypothetical protein 0.0148 0.0855 0.3279
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0076 0.0841
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.015 0.0574
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.015 0.0574
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0102 0.0565 0.217
Onchocerca volvulus 0.0087 0.0471 0.1579
Schistosoma mansoni inositol monophosphatase 0.0036 0.015 0.0167
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0192 0.1133 0.434
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0068 0.0258
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.0735 0.2819
Brugia malayi F/Y-rich N-terminus family protein 0.0014 0.0012 0.0041
Trypanosoma cruzi ISWI complex protein 0.0016 0.0024 0.0088
Echinococcus multilocularis GPCR, family 2 0.0047 0.0218 0.0218
Schistosoma mansoni hypothetical protein 0.0864 0.5365 0.6316
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0202 0.1369
Entamoeba histolytica DNA topoisomerase III, putative 0.0102 0.0565 1
Brugia malayi Probable DNA topoisomerase II 0.0023 0.0068 0.0258
Schistosoma mansoni zinc finger protein 0.0026 0.0086 0.0091
Trypanosoma cruzi DNA topoisomerase III, putative 0.0053 0.0257 0.0986
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0133 0.0509
Loa Loa (eye worm) MBCTL1 0.0057 0.0282 0.108
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0304 0.1165
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0282 0.0282
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0059 0.0223
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0059 0.0223
Schistosoma mansoni hypothetical protein 0.0101 0.056 0.0651
Loa Loa (eye worm) DNA topoisomerase III 0.0102 0.0565 0.2164
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0282 0.0332
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0068 0.0258
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0304 0.5104
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0023 0.0068 0.0258
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0383 0.1282
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0304 0.0348
Echinococcus multilocularis microtubule associated protein 2 0.136 0.849 0.849
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.1133 0.1326
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0202 0.1193 0.1406
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0383 0.1282
Mycobacterium tuberculosis Conserved protein 0.0073 0.0383 0.1259
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0218 0.0835
Leishmania major hypothetical protein, conserved 0.0016 0.0024 0.0088
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0193 0.0218
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0102 0.0565 0.0665
Leishmania major mitochondrial DNA topoisomerase II 0.0023 0.0068 0.0259
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0033 0.0133 0.0444
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0023 0.0068 0.0259
Trichomonas vaginalis alpha-glucosidase, putative 0.0033 0.0133 0.0444
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0383 0.1282
Trichomonas vaginalis alpha-glucosidase, putative 0.0033 0.0133 0.0444
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.0795 0.0936
Leishmania major DNA topoisomerase 1A 0.0102 0.0565 0.217
Echinococcus multilocularis rho GTPase activating protein 20 0.0102 0.0565 0.0565
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0068 0.0151
Brugia malayi hypothetical protein 0.003 0.0113 0.043
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.1257 0.4838
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0383 0.6591
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0383 0.1282
Brugia malayi Bromodomain containing protein 0.0084 0.0452 0.173
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0383 0.1259
Trypanosoma cruzi DNA topoisomerase III, putative 0.0102 0.0565 0.217
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.0076 0.0841
Brugia malayi Glycosyl hydrolases family 31 protein 0.0033 0.0133 0.0507
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0312 0.0358
Loa Loa (eye worm) hypothetical protein 0.0073 0.0383 0.1467
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.015 0.0574
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0312 0.0312
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0218 0.0218
Plasmodium vivax topoisomerase I, putative 0.0215 0.1279 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0008 0.001
Schistosoma mansoni hypothetical protein 0.0022 0.0059 0.006
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0312 0.2072
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0102 0.0565 1
Entamoeba histolytica DNA topoisomerase III, putative 0.0053 0.0257 0.4543
Echinococcus granulosus DNA topoisomerase 1 0.0215 0.1279 0.1506
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0426 0.2609 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0076 0.0841
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.0424 0.2597 1
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0053 0.0257 0.0257
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0059 0.0227
Echinococcus multilocularis zinc finger protein 0.0026 0.0086 0.0086
Schistosoma mansoni hypothetical protein 0.0864 0.5365 0.6316
Loa Loa (eye worm) hypothetical protein 0.0047 0.0218 0.0835
Mycobacterium ulcerans DNA topoisomerase I 0.0102 0.0565 1
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0383 0.6591
Trypanosoma brucei DNA topoisomerase III, putative 0.0053 0.0257 0.0986
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.0855 0.3276
Brugia malayi mbt repeat family protein 0.005 0.0238 0.0909
Mycobacterium tuberculosis Conserved protein 0.0073 0.0383 0.1259
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0083 0.0098
Giardia lamblia DNA topoisomerase III 0.0053 0.0257 0.3918
Trichomonas vaginalis maltase-glucoamylase, putative 0.0033 0.0133 0.0444
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0383 0.1471
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0383 0.0451
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0127 0.0486
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.016 0.016
Brugia malayi Raf kinase 0.0043 0.0193 0.0737
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0076 0.009
Onchocerca volvulus 0.005 0.0238 0.0796
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0383 0.1259
Echinococcus granulosus microtubule associated protein 2 0.136 0.849 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.015 0.05
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0035 0.0042
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0068 0.0691
Brugia malayi hypothetical protein 0.0235 0.1406 0.5386
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0024 0.0076 0.0253
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0165 0.2903
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0383 0.1259
Loa Loa (eye worm) hypothetical protein 0.0073 0.0383 0.1467
Mycobacterium ulcerans beta-lactamase 0.0073 0.0383 0.6591
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.1257 0.4838
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0059 0.0223
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0032 0.0021
Onchocerca volvulus 0.0032 0.0127 0.0422
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0053 0.0257 0.0985
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.1406 0.1656
Echinococcus multilocularis raf serine:threonine protein kinase 0.0043 0.0193 0.0193
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0225 0.0859
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0133 0.0509
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0023 0.0068 0.0226
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0383 0.1471
Echinococcus multilocularis cpg binding protein 0.0036 0.0151 0.0151
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0304 0.5104
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0113 0.0656
Mycobacterium ulcerans hypothetical protein 0.0073 0.0383 0.6591
Brugia malayi CXXC zinc finger family protein 0.0032 0.0127 0.0482
Loa Loa (eye worm) hypothetical protein 0.0023 0.0068 0.0262
Schistosoma mansoni alpha-glucosidase 0.013 0.0739 0.0862
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0059 0.0059
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0102 0.0565 0.0656
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0083 0.0089
Schistosoma mansoni hypothetical protein 0.0047 0.0218 0.0247
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.015 0.1801
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0282 0.0282
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.015 0.0574
Brugia malayi DNA topoisomerase III beta-1 0.0053 0.0257 0.0982
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0059 0.007
Schistosoma mansoni DNA topoisomerase type I 0.0215 0.1279 0.1498
Onchocerca volvulus 0.0073 0.0383 0.1282
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0202 0.1193 0.1193
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0293 0.0345

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antifungal activity against Saccharomyces cerevisiae at 300 ug/disk ChEMBL. 11520215
IC100 (functional) = 7 ug ml-1 Cytotoxicity against human A549 cells after 72 hrs ChEMBL. 11520215
IC100 (functional) = 7 ug ml-1 Cytotoxicity against human HCT116 cells after 72 hrs ChEMBL. 11520215
IC50 (functional) = 43.3 uM Cytotoxicity against human MDA-MB-231 cells after 48 hrs by luminometric analysis ChEMBL. 22458669

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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