Detailed information for compound 991961

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.501 | Formula: C22H34O7
  • H donors: 2 H acceptors: 4 LogP: 1.92 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](O2)([C@H](C[C@H]2CC[C@@]1(C)OC(=O)C2=C)O)C
  • InChi: 1S/C22H34O7/c1-13-15-6-10-22(5,29-19(13)25)18(27-14(2)23)7-9-20(3,26)17-8-11-21(4,28-17)16(24)12-15/h15-18,24,26H,1,6-12H2,2-5H3/t15-,16+,17+,18-,20-,21-,22-/m1/s1
  • InChiKey: KUQAHARRQPAVLU-XNAIKIDQSA-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
Loa Loa (eye worm) hypothetical protein 0.0035 0.0562 0.0645
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Schistosoma mansoni smad 0.0016 0.0017 0.0018
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0191 0.5224 0.536
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.2347 0.4157
Schistosoma mansoni endoplasmin 0.0093 0.229 0.235
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0515 0.0986
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0897 0.103
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0292 0.056
Trypanosoma brucei heat shock protein, putative 0.0093 0.229 0.4384
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0006 0.0006
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Echinococcus multilocularis geminin 0.0343 0.9746 1
Giardia lamblia Grp94/Hsp90 0.0087 0.2121 0.3982
Schistosoma mansoni serine/threonine protein kinase 0.0191 0.5224 0.536
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0125 0.0111
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0017 0.0018
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0125 0.0128
Plasmodium falciparum glutathione reductase 0.0096 0.2379 0.2379
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0515 0.0986
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0562 0.0645
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0062 0.1363 0.2158
Plasmodium vivax heat shock protein 86, putative 0.0093 0.229 0.229
Giardia lamblia Heat shock protein HSP 90-alpha 0.0079 0.1891 0.3537
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0006 0.0007
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0696 0.0306
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0515 0.0986
Brugia malayi Heterochromatin protein 1 0.007 0.1613 0.1853
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0017 0.002
Loa Loa (eye worm) heat shock protein 75 0.0062 0.1363 0.1566
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0125 0.0125
Echinococcus granulosus thioredoxin glutathione reductase 0.0096 0.2379 0.2441
Brugia malayi MH2 domain containing protein 0.0016 0.0017 0.002
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.5224 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0079 0.1891 0.194
Trypanosoma brucei unspecified product 0.004 0.0728 0.1394
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.5224 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1041 0.1196
Plasmodium falciparum glutathione reductase 0.0033 0.0515 0.0515
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0125 0.0128
Trypanosoma brucei Heat shock protein 83, putative 0.0093 0.229 0.4384
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Entamoeba histolytica hypothetical protein 0.0073 0.1697 0.2836
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0058 0.1269 0.2429
Brugia malayi chromobox protein homolog 3 0.0039 0.0696 0.08
Toxoplasma gondii thioredoxin reductase 0.0096 0.2379 0.2379
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0515 0.0986
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0017 0.0018
Mycobacterium tuberculosis Probable dehydrogenase 0.0218 0.6032 0.8926
Brugia malayi hypothetical protein 0.0308 0.8704 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.0067 0.0129
Echinococcus multilocularis chromobox protein 1 0.007 0.1613 0.1655
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0515 0.0592
Schistosoma mansoni kinase 0.0097 0.2422 0.2485
Entamoeba histolytica hypothetical protein 0.0073 0.1697 0.2836
Echinococcus granulosus GPCR family 2 0.0016 0.0006 0.0006
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0044 0.083 0.083
Echinococcus multilocularis GPCR, family 2 0.0016 0.0006 0.0006
Brugia malayi hypothetical protein 0.0073 0.1697 0.1949
Echinococcus granulosus dna polymerase eta 0.0084 0.2031 0.2084
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.6727 0.7729
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0058 0.1269 0.1302
Leishmania major DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Trichomonas vaginalis endoplasmin, putative 0.0067 0.1532 0.2503
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0515 0.218
Plasmodium falciparum endoplasmin, putative 0.0067 0.1532 0.1532
Schistosoma mansoni DNA polymerase IV / kappa 0.0018 0.0067 0.0069
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0515 0.0986
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.5224 1
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0067 0.0129
Loa Loa (eye worm) hypothetical protein 0.0016 0.0006 0.0007
Plasmodium falciparum thioredoxin reductase 0.0096 0.2379 0.2379
Plasmodium falciparum heat shock protein 90, putative 0.0054 0.1133 0.1133
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0515 0.0986
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0067 0.0129
Trypanosoma brucei heat shock protein, putative 0.0093 0.229 0.4384
Echinococcus granulosus transcription factor eb 0.0108 0.2759 0.2831
Leishmania major DNA damage repair protein, putative 0.0018 0.0067 0.0129
Trypanosoma brucei unspecified product 0.004 0.0728 0.1394
Trypanosoma cruzi heat shock protein 85, putative 0.0093 0.229 0.4384
Schistosoma mansoni chromobox protein 0.007 0.1613 0.1655
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0058 0.1269 0.1967
Schistosoma mansoni smad1 5 8 and 0.0016 0.0017 0.0018
Echinococcus multilocularis thioredoxin glutathione reductase 0.0096 0.2379 0.2441
Toxoplasma gondii heat shock protein 90, putative 0.0093 0.229 0.229
Onchocerca volvulus 0.0308 0.8704 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0058 0.1269 0.1877
Trichomonas vaginalis DNA helicase recq, putative 0.0049 0.0975 0.137
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0515 0.218
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0292 0.0292
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0191 0.5224 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Schistosoma mansoni hypothetical protein 0.0035 0.0562 0.0576
Echinococcus multilocularis smad 0.0016 0.0017 0.0018
Plasmodium vivax heat shock protein 90, putative 0.0062 0.1363 0.1363
Trypanosoma cruzi heat shock protein 90, putative 0.0093 0.229 0.4384
Giardia lamblia Kinase, PLK 0.0191 0.5224 1
Leishmania major heat shock protein, putative 0.0062 0.1363 0.2609
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.0684 0.1309
Trypanosoma brucei heat shock protein, putative 0.0093 0.229 0.4384
Trypanosoma brucei heat shock protein 84, putative 0.0062 0.1363 0.2609
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0355 0.0111
Brugia malayi ImpB/MucB/SamB family protein 0.0084 0.2031 0.2334
Brugia malayi MH1 domain containing protein 0.0016 0.0017 0.002
Giardia lamblia Heat shock protein HSP 90-alpha 0.0093 0.229 0.4311
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0515 0.0515
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0017 0.0018
Trypanosoma brucei trypanothione reductase 0.0096 0.2379 0.4553
Echinococcus multilocularis dna polymerase eta 0.0084 0.2031 0.2084
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.5224 1
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0218 0.6032 0.8926
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0058 0.1269 0.1302
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0515 0.0515
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.083 0.1589
Mycobacterium ulcerans DNA polymerase IV 0.0058 0.1269 0.5851
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0515 0.0986
Leishmania major DNA polymerase kappa, putative 0.0018 0.0067 0.0129
Trypanosoma brucei DNA polymerase eta, putative 0.0084 0.2031 0.3889
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0515 0.0529
Leishmania major hypothetical protein, conserved 0.0026 0.0292 0.056
Schistosoma mansoni endoplasmin 0.0093 0.229 0.235
Entamoeba histolytica deoxycytidyl transferase, putative 0.0058 0.1269 0.1967
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0033 0.0506 0.0506
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0728 0.1394
Echinococcus granulosus heat shock protein 90 0.0079 0.1891 0.194
Echinococcus multilocularis Smad4 0.0016 0.0017 0.0018
Schistosoma mansoni DNA helicase recq1 0.002 0.0125 0.0128
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0043 0.0799 0.0799
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Toxoplasma gondii Hsp90 domain-containing protein 0.0351 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0696 0.0804
Brugia malayi ImpB/MucB/SamB family protein 0.0058 0.1269 0.1458
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0785 0.0985
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0125 0.0128
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0218 0.6032 0.8926
Trichomonas vaginalis chromobox protein, putative 0.007 0.1613 0.2666
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0218 0.6032 0.8926
Echinococcus multilocularis bloom syndrome protein 0.0049 0.0975 0.1
Trypanosoma brucei polo-like protein kinase 0.0191 0.5224 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0242 0.6758 1
Echinococcus granulosus chromobox protein 1 0.007 0.1613 0.1655
Trypanosoma brucei DNA polymerase IV, putative 0.0058 0.1269 0.2429
Loa Loa (eye worm) endoplasmin 0.0093 0.229 0.2631
Echinococcus granulosus dna polymerase kappa 0.0058 0.1269 0.1302
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0292 0.0292
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0242 0.6758 1
Brugia malayi hypothetical protein 0.0026 0.0292 0.0336
Trypanosoma cruzi trypanothione reductase, putative 0.0096 0.2379 0.4553
Giardia lamblia DINP protein human, muc B family 0.0058 0.1269 0.233
Plasmodium vivax endoplasmin, putative 0.0093 0.229 0.229
Schistosoma mansoni hypothetical protein 0.0343 0.9746 1
Brugia malayi Bloom's syndrome protein homolog 0.0049 0.0975 0.112
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Trypanosoma cruzi heat shock protein 90, putative 0.0079 0.1891 0.362
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0125 0.0143
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Entamoeba histolytica heat shock protein 90, putative 0.0093 0.229 0.4042
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0515 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.1613 0.1853
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1697 0.1741
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0515 0.0986
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1041 0.1196
Schistosoma mansoni heat shock protein 0.0093 0.229 0.235
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0897 0.092
Trypanosoma cruzi polo-like protein kinase, putative 0.0191 0.5224 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0087 0.2121 0.4059
Brugia malayi serine/threonine-protein kinase plk-2 0.0191 0.5224 0.6002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0515 0.0986
Plasmodium vivax DNA repair protein REV1, putative 0.0018 0.0067 0.0067
Entamoeba histolytica heat shock protein 90, putative 0.0093 0.229 0.4042
Plasmodium falciparum DNA repair protein REV1, putative 0.0018 0.0067 0.0067
Brugia malayi heat shock protein 90 0.0093 0.229 0.2631
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0515 0.218
Brugia malayi glutathione reductase 0.0096 0.2379 0.2733
Brugia malayi Endoplasmin precursor 0.0093 0.229 0.2631
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0515 0.0986
Echinococcus granulosus endoplasmin 0.0087 0.2121 0.2176
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0087 0.2121 1
Trichomonas vaginalis heat shock protein, putative 0.0087 0.2121 0.3697
Loa Loa (eye worm) hypothetical protein 0.0018 0.0067 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0355 0.0111
Trypanosoma cruzi polo-like protein kinase, putative 0.0191 0.5224 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Brugia malayi Hsp90 protein 0.0062 0.1363 0.1566
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0515 0.0868
Trichomonas vaginalis chromobox protein, putative 0.007 0.1613 0.2666
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0062 0.1363 0.1113
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0125 0.0143
Echinococcus multilocularis endoplasmin 0.0087 0.2121 0.2176
Schistosoma mansoni hypothetical protein 0.0343 0.9746 1
Trypanosoma cruzi heat shock protein, putative 0.0062 0.1363 0.2609
Toxoplasma gondii heat shock protein 75, putative 0.0062 0.1363 0.1363
Toxoplasma gondii heat shock protein HSP90 0.0093 0.229 0.229
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0017 0.0018
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0062 0.1363 0.1398
Trichomonas vaginalis DNA helicase recq1, putative 0.0049 0.0975 0.137
Trypanosoma cruzi heat shock protein 85, putative 0.0093 0.229 0.4384
Echinococcus multilocularis transcription factor eb 0.0108 0.2759 0.2831
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0006 0.0007
Echinococcus granulosus Smad4 0.0016 0.0017 0.0018
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Trichomonas vaginalis heat shock protein, putative 0.0093 0.229 0.4042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0897 0.092
Schistosoma mansoni hypothetical protein 0.0016 0.0006 0.0006
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0728 0.1394
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0515 0.0986
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0244 0.6814 0.7829
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0108 0.2759 0.317
Entamoeba histolytica hypothetical protein 0.0073 0.1697 0.2836
Schistosoma mansoni hypothetical protein 0.0073 0.1697 0.1741
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0125 0.0128
Trypanosoma brucei heat shock protein 90, putative 0.0093 0.229 0.4384
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.0067 0.0129
Loa Loa (eye worm) hypothetical protein 0.0308 0.8704 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.03 0.0575
Trichomonas vaginalis DNA polymerase eta, putative 0.0058 0.1269 0.1967
Plasmodium falciparum thioredoxin reductase 0.0033 0.0515 0.0515
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Loa Loa (eye worm) hypothetical protein 0.0026 0.0292 0.0336
Trichomonas vaginalis heat shock protein, putative 0.0079 0.1891 0.3231
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0515 0.0986
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0058 0.1269 0.1302
Loa Loa (eye worm) Smad1 0.0016 0.0017 0.002
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Trichomonas vaginalis heat shock protein, putative 0.0087 0.2121 0.3697
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0125 0.0125
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1041 0.1196
Trypanosoma brucei heat shock protein, putative 0.0093 0.229 0.4384
Loa Loa (eye worm) hypothetical protein 0.0084 0.2031 0.2334
Loa Loa (eye worm) hypothetical protein 0.0039 0.0696 0.08
Echinococcus granulosus heat shock protein 90 0.0093 0.229 0.235
Trypanosoma brucei heat shock protein, putative 0.0093 0.229 0.4384
Schistosoma mansoni hypothetical protein 0.0016 0.0006 0.0006
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0515 0.0986
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0515 0.0515
Loa Loa (eye worm) heat shock protein 90 0.0093 0.229 0.2631
Mycobacterium ulcerans heat shock protein 90 0.0087 0.2121 1
Loa Loa (eye worm) thioredoxin reductase 0.0096 0.2379 0.2733
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0062 0.1363 0.1398
Loa Loa (eye worm) glutathione reductase 0.0096 0.2379 0.2733
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0006 0.0007
Schistosoma mansoni smad1 5 8 and 0.0016 0.0017 0.0018
Loa Loa (eye worm) hypothetical protein 0.0051 0.1041 0.1196
Brugia malayi Thioredoxin reductase 0.0096 0.2379 0.2733
Plasmodium vivax heat shock protein, putative 0.0351 1 1
Trypanosoma brucei unspecified product 0.0058 0.1269 0.2429
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Echinococcus multilocularis heat shock protein 90 0.0079 0.1891 0.194
Loa Loa (eye worm) hypothetical protein 0.0108 0.2743 0.3152
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.2347 0.4157
Schistosoma mansoni Smad4 0.0016 0.0017 0.0018
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.6727 0.7729
Schistosoma mansoni smad1 5 8 and 0.0016 0.0017 0.0018
Leishmania major DNA polymerase eta, putative 0.0044 0.083 0.1589
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0018 0.0067 0.0067
Trypanosoma cruzi heat shock protein 85, putative 0.0093 0.229 0.4384
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0292 0.056
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.0067 0.0129
Echinococcus granulosus smad 0.0016 0.0017 0.0018
Mycobacterium tuberculosis Probable reductase 0.0218 0.6032 0.8926
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0018 0.0067 0.0067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0897 0.092
Entamoeba histolytica hypothetical protein 0.0073 0.1697 0.2836
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0515 0.0986
Schistosoma mansoni blooms syndrome DNA helicase 0.0038 0.067 0.0687
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0125 0.0143
Loa Loa (eye worm) RecQ helicase 0.0049 0.0975 0.112
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0292 0.0292
Echinococcus multilocularis dna polymerase kappa 0.0058 0.1269 0.1302
Plasmodium falciparum heat shock protein 90 0.0093 0.229 0.229
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0218 0.6032 0.8435
Trypanosoma brucei heat shock protein, putative 0.0093 0.229 0.4384
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0515 0.0436
Trypanosoma brucei DNA polymerase IV, putative 0.0058 0.1269 0.2429
Mycobacterium tuberculosis Probable oxidoreductase 0.0242 0.6758 1
Leishmania major DNA polymerase eta, putative 0.0084 0.2031 0.3889
Schistosoma mansoni heat shock protein 0.0093 0.229 0.235
Loa Loa (eye worm) hypothetical protein 0.002 0.0125 0.0143
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0191 0.5224 0.536
Loa Loa (eye worm) hypothetical protein 0.0031 0.0444 0.051
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0515 0.0529
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.03 0.0575
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0067 0.0129
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0515 0.0515
Echinococcus granulosus heat shock protein 0.0093 0.229 0.235
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0897 0.092
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0067 0.0129
Brugia malayi hypothetical protein 0.0017 0.0021 0.0024
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0032 0.0494 0.0494
Brugia malayi Smad1 0.0016 0.0017 0.002
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0897 0.103
Schistosoma mansoni hypothetical protein 0.0016 0.0006 0.0006
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0253 0.029
Trypanosoma brucei heat shock protein, putative 0.0093 0.229 0.4384
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1697 0.1741
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Trypanosoma cruzi DNA polymerase eta, putative 0.0084 0.2031 0.3889
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0006 0.0006
Schistosoma mansoni DNA polymerase eta 0.0084 0.2031 0.2084
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0785 0.0413
Leishmania major trypanothione reductase 0.0096 0.2379 0.4553
Trypanosoma cruzi DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Echinococcus multilocularis chromobox protein 1 0.007 0.1613 0.1655
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0058 0.1269 0.1458
Onchocerca volvulus Serine\/threonine kinase homolog 0.0191 0.5224 0.5787
Echinococcus granulosus bloom syndrome protein 0.0049 0.0975 0.1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0125 0.0125
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0253 0.029
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0515 0.0515
Echinococcus multilocularis heat shock protein 90 0.0093 0.229 0.235
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0108 0.2743 0.3152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0897 0.092
Trypanosoma brucei heat shock protein 90, putative 0.0093 0.229 0.4384
Schistosoma mansoni hypothetical protein 0.0016 0.0006 0.0006
Trypanosoma brucei chrX additional, unordered contigs 0.0018 0.0067 0.0129
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0292 0.0292
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0087 0.2121 0.3138
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.5224 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0897 0.092
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.0067 0.0129
Brugia malayi MH1 domain containing protein 0.0016 0.0017 0.002
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0191 0.5224 0.6002
Trypanosoma brucei DNA polymerase IV, putative 0.0058 0.1269 0.2429
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0006 0.0006
Leishmania major heat shock protein 83-1 0.0093 0.229 0.4384
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0897 0.092
Schistosoma mansoni DNA helicase recq5 0.002 0.0125 0.0128
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.03 0.0575
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1697 0.1741
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0067 0.0129
Mycobacterium ulcerans DNA polymerase IV 0.0058 0.1269 0.5851
Plasmodium vivax glutathione reductase, putative 0.0096 0.2379 0.2379
Brugia malayi MH2 domain containing protein 0.0016 0.0017 0.002
Echinococcus multilocularis heat shock protein 0.0093 0.229 0.235
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0728 0.1394
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0067 0.0129
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0696 0.0804
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0515 0.0986
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0515 0.0762
Trichomonas vaginalis heat shock protein, putative 0.0067 0.1532 0.2503
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1269 0.2429
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0006 0.0006
Entamoeba histolytica serine/threonine protein kinase, putative 0.0191 0.5224 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0058 0.1269 0.1302
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0218 0.6032 0.8926
Echinococcus granulosus geminin 0.0343 0.9746 1
Echinococcus granulosus chromobox protein 1 0.007 0.1613 0.1655
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0242 0.6758 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0058 0.1269 0.1877
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.5224 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0017 0.002
Trichomonas vaginalis heat shock protein, putative 0.0054 0.1133 0.1692
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0292 0.056
Brugia malayi polk-prov protein 0.0018 0.0067 0.0078
Plasmodium vivax thioredoxin reductase, putative 0.0096 0.2379 0.2379
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0515 0.0986
Trypanosoma cruzi heat shock protein 85, putative 0.0079 0.1891 0.362
Treponema pallidum heat shock protein 90 0.0087 0.2121 1
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.5224 1
Brugia malayi MH2 domain containing protein 0.0241 0.6727 0.7729
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0515 0.0986
Schistosoma mansoni heat shock protein 0.0062 0.1363 0.1398
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0515 0.0529
Trypanosoma brucei heat shock protein, putative 0.0093 0.229 0.4384
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0096 0.2379 0.352
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0017 0.0018
Trypanosoma cruzi Heat shock protein 83, putative 0.0093 0.229 0.4384
Schistosoma mansoni chromobox protein 0.007 0.1613 0.1655
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0785 0.0985
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0515 0.0436

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) < 20 ug ml-1 Cytotoxicity against human HeLa cells by MTT method ChEMBL. 18831569
ED50 (functional) < 20 ug ml-1 Cytotoxicity against human Hep2 cells by MTT method ChEMBL. 18831569
ED50 (functional) < 20 ug ml-1 Cytotoxicity against human MCF7 cells by MTT method ChEMBL. 18831569
IC50 (functional) > 20 ug ml-1 Cytotoxicity against human HeLa cells ChEMBL. 18831569
IC50 (functional) > 20 ug ml-1 Cytotoxicity against human Hep2 cells ChEMBL. 18831569

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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