Detailed information for compound 1504772

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 783.987 | Formula: C44H65NO11
  • H donors: 0 H acceptors: 1 LogP: 2.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@H](CN1CC1C)C[C@H]1O[C@@H]2[C@@H]([C@H]1OC)CC(=O)C[C@H]1CC[C@H]3[C@H](O1)[C@@H]1O[C@]4(CC[C@@H]5O[C@@H](CC[C@@H]6O[C@H](C2)C(=C)[C@@H](C6)C)C(=C)C5)O[C@@H]2[C@H](O3)[C@H]1O[C@@H]2C4
  • InChi: 1S/C44H65NO11/c1-22-13-27-7-9-32-23(2)14-29(49-32)11-12-44-19-37-40(55-44)41-42(54-37)43(56-44)39-33(53-41)10-8-28(51-39)15-26(46)16-31-35(18-34(50-27)25(22)4)52-36(38(31)48-6)17-30(47-5)21-45-20-24(45)3/h22,24,27-43H,2,4,7-21H2,1,3,5-6H3/t22-,24?,27+,28-,29+,30+,31+,32+,33+,34-,35+,36-,37-,38-,39+,40+,41+,42-,43+,44+,45?/m1/s1
  • InChiKey: XOBWFJSYGSLGIJ-IBBQWPRFSA-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) MH2 domain-containing protein 0.0245 0.2832 0.7124
Loa Loa (eye worm) hypothetical protein 0.0035 0.0298 0.0748
Trypanosoma cruzi DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0078 0.0117
Loa Loa (eye worm) fli-1 protein 0.0213 0.244 0.6138
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0162 0.034
Brugia malayi Ets-domain containing protein 0.007 0.0722 0.1815
Trypanosoma brucei chrX additional, unordered contigs 0.0036 0.0314 0.0386
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0162 0.0407
Trypanosoma cruzi DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Mycobacterium ulcerans DNA polymerase IV 0.0117 0.1285 0.3341
Echinococcus multilocularis expressed protein 0.0067 0.0684 0.0684
Mycobacterium tuberculosis Conserved hypothetical protein 0.0117 0.1285 0.3341
Schistosoma mansoni gabp alpha 0.007 0.0722 0.1815
Plasmodium falciparum thioredoxin reductase 0.0038 0.0331 0.4871
Plasmodium falciparum glutathione reductase 0.0038 0.0331 0.4871
Trichomonas vaginalis CAMK family protein kinase 0.0139 0.155 0.4704
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.002 0.0123 0.0848
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0079 0.0198
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0064 0.0644 0.084
Chlamydia trachomatis dihydrofolate reductase 0.0166 0.1881 1
Brugia malayi Smad1 0.0017 0.0079 0.0198
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.0913 0.2347
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0281 0.3257 0.8192
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.002 0.0123 0.0121
Brugia malayi Pre-SET motif family protein 0.0207 0.2374 0.5972
Schistosoma mansoni DNA polymerase eta 0.0117 0.1285 0.3231
Trichomonas vaginalis DNA polymerase eta, putative 0.0117 0.1285 0.3879
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.009 0.0148
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.002 0.0123 1
Trypanosoma brucei DNA polymerase IV, putative 0.0117 0.1285 0.1725
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0223 0.056
Echinococcus multilocularis dna polymerase eta 0.0117 0.1285 0.1285
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0072 0.0181
Plasmodium falciparum DNA repair protein REV1, putative 0.0036 0.0314 0.459
Leishmania major mitochondrial DNA polymerase beta 0.0614 0.7279 1
Trichomonas vaginalis rotamase, putative 0.0065 0.0665 0.1956
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0162 0.034
Trypanosoma brucei DNA polymerase IV, putative 0.0117 0.1285 0.1725
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0117 0.1285 0.3879
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.034 0.3976 0.3976
Leishmania major trypanothione reductase 0.0038 0.0331 0.0409
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0036 0.0314 0.2696
Onchocerca volvulus 0.0154 0.1731 0.507
Schistosoma mansoni smad1 5 8 and 0.0017 0.0079 0.0198
Trichomonas vaginalis CAMK family protein kinase 0.0281 0.3257 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0599 0.1507
Loa Loa (eye worm) hypothetical protein 0.0036 0.0314 0.079
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.002 0.0123 0.0121
Schistosoma mansoni hypothetical protein 0.0177 0.2004 0.504
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0965 0.0965
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0314 0.0386
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0166 0.1881 0.4935
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0848 0.1122
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0281 0.3257 0.3257
Brugia malayi Thioredoxin reductase 0.0038 0.0331 0.0834
Trypanosoma brucei DNA polymerase IV, putative 0.0117 0.1285 0.1725
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0162 0.034
Echinococcus granulosus expressed protein 0.0067 0.0684 0.172
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0117 0.1285 0.3341
Echinococcus multilocularis Smad4 0.0017 0.0079 0.0079
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0492 0.1237
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0314 0.0386
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0281 0.3257 0.4448
Loa Loa (eye worm) protein-tyrosine phosphatase 0.034 0.3976 1
Echinococcus granulosus dihydrofolate reductase 0.0166 0.1881 0.4732
Loa Loa (eye worm) hypothetical protein 0.0018 0.009 0.0227
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0064 0.0644 0.5874
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0079 0.0198
Loa Loa (eye worm) dihydrofolate reductase 0.0166 0.1881 0.4732
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0067 0.0684 0.172
Trypanosoma brucei DNA damage repair protein, putative 0.0036 0.0314 0.0386
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0079 0.0198
Loa Loa (eye worm) hypothetical protein 0.0024 0.0162 0.0407
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.0722 0.0722
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0079 0.0198
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0086 0.0918 0.122
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0117 0.1285 0.1725
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0035 0.0035
Entamoeba histolytica hypothetical protein 0.0037 0.0327 0.0532
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0162 0.0407
Trichomonas vaginalis CAMK family protein kinase 0.0281 0.3257 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0162 0.034
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0614 0.7279 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0314 0.0747
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0965 0.2428
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0162 0.034
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0281 0.3257 0.8192
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0327 0.0822
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0079 0.0198
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0086 0.0918 0.122
Giardia lamblia Kinase, PLK 0.0281 0.3257 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0965 0.0965
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0105 0.1146 0.1534
Echinococcus granulosus smad 0.0017 0.0079 0.0198
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0162 0.034
Brugia malayi polk-prov protein 0.0036 0.0314 0.079
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0337 0.0849
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0072 0.0181
Loa Loa (eye worm) hypothetical protein 0.0024 0.0162 0.0407
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.1028 0.2656
Echinococcus granulosus dna polymerase kappa 0.0117 0.1285 0.3231
Schistosoma mansoni smad 0.0017 0.0079 0.0198
Giardia lamblia DINP protein human, muc B family 0.0117 0.1285 0.3879
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0848 0.1122
Trichomonas vaginalis CAMK family protein kinase 0.0281 0.3257 1
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.002 0.0123 0.0121
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0331 0.0793
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0331 0.0834
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0236 0.0593
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.009 0.0148
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0072 0.0181
Brugia malayi MH2 domain containing protein 0.0245 0.2832 0.7124
Plasmodium vivax glutathione reductase, putative 0.0038 0.0331 0.4871
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0965 0.2428
Toxoplasma gondii thioredoxin reductase 0.0038 0.0331 0.2861
Trypanosoma brucei trypanothione reductase 0.0038 0.0331 0.0409
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0064 0.0644 0.084
Brugia malayi MH1 domain containing protein 0.0017 0.0079 0.0198
Entamoeba histolytica hypothetical protein 0.0037 0.0327 0.0532
Brugia malayi glutathione reductase 0.0038 0.0331 0.0834
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.0913 0.2347
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0614 0.7279 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0337 0.0337
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0117 0.1285 0.3231
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0492 0.1237
Mycobacterium ulcerans DNA polymerase IV 0.0117 0.1285 0.3341
Echinococcus multilocularis smad 0.0017 0.0079 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Schistosoma mansoni hypothetical protein 0.0035 0.0298 0.0748
Toxoplasma gondii hypothetical protein 0.0099 0.1071 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0162 0.0407
Loa Loa (eye worm) transcription factor SMAD2 0.0245 0.2832 0.7124
Mycobacterium tuberculosis Probable reductase 0.0086 0.0913 0.2347
Trypanosoma cruzi polo-like protein kinase, putative 0.0281 0.3257 0.4448
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0086 0.0918 0.122
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0965 0.2428
Schistosoma mansoni hypothetical protein 0.0016 0.0072 0.0181
Trichomonas vaginalis CAMK family protein kinase 0.0281 0.3257 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Trichomonas vaginalis CAMK family protein kinase 0.0139 0.155 0.4704
Loa Loa (eye worm) hypothetical protein 0.0018 0.009 0.0227
Loa Loa (eye worm) hypothetical protein 0.0117 0.1285 0.3231
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0078 0.0117
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.0913 0.2347
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0078 0.0117
Trypanosoma cruzi DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.1028 0.2656
Trypanosoma brucei DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Trichomonas vaginalis rotamase, putative 0.0067 0.0684 0.2015
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0064 0.0644 0.084
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.009 0.0299
Brugia malayi serine/threonine-protein kinase plk-2 0.0281 0.3257 0.8192
Mycobacterium tuberculosis Conserved hypothetical protein 0.0324 0.3776 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0064 0.0644 1
Schistosoma mansoni DNA polymerase IV / kappa 0.0036 0.0314 0.079
Trypanosoma brucei DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0065 0.0665 0.087
Trypanosoma brucei polo-like protein kinase 0.0281 0.3257 0.4448
Loa Loa (eye worm) hypothetical protein 0.003 0.0236 0.0593
Schistosoma mansoni dihydrofolate reductase 0.0166 0.1881 0.4732
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0314 0.0386
Schistosoma mansoni terminal deoxycytidyl transferase 0.0117 0.1285 0.3231
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.034 0.3976 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0236 0.0236
Schistosoma mansoni hypothetical protein 0.0037 0.0327 0.0822
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.0722 0.1815
Entamoeba histolytica hypothetical protein 0.0037 0.0327 0.0532
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0035 0.0088
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0291 0.338 0.4618
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0035 0.0088
Trypanosoma brucei DNA polymerase eta, putative 0.0117 0.1285 0.1725
Schistosoma mansoni smad1 5 8 and 0.0017 0.0079 0.0198
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0086 0.0918 0.122
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0166 0.1881 0.4935
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0331 0.4871
Brugia malayi dihydrofolate reductase family protein 0.0166 0.1881 0.4732
Trypanosoma cruzi DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Trypanosoma cruzi DNA damage repair protein, putative 0.0036 0.0314 0.0386
Trypanosoma brucei unspecified product 0.0081 0.0848 0.1122
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0314 0.2696
Trypanosoma brucei DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0965 0.2428
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0117 0.1285 0.1285
Brugia malayi MH1 domain containing protein 0.0017 0.0079 0.0198
Mycobacterium ulcerans hypothetical protein 0.0024 0.0162 0.034
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.1028 0.2656
Treponema pallidum NADH oxidase 0.0013 0.0035 0.5
Leishmania major DNA polymerase eta, putative 0.0036 0.0314 0.0386
Toxoplasma gondii peptidylprolyl isomerase 0.0065 0.0665 0.6079
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0065 0.0665 0.087
Trypanosoma brucei DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.034 0.3976 1
Brugia malayi Ets-domain containing protein 0.007 0.0722 0.1815
Entamoeba histolytica hypothetical protein 0.0037 0.0327 0.0532
Echinococcus granulosus Smad4 0.0017 0.0079 0.0198
Schistosoma mansoni smad1 5 8 and 0.0017 0.0079 0.0198
Echinococcus multilocularis GPCR, family 2 0.0016 0.0072 0.0072
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0331 0.0409
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0236 0.0593
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0162 0.034
Echinococcus granulosus geminin 0.0177 0.2004 0.504
Leishmania major DNA polymerase eta, putative 0.0117 0.1285 0.1725
Onchocerca volvulus 0.003 0.0236 0.0238
Trypanosoma brucei DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Echinococcus granulosus dna polymerase eta 0.0117 0.1285 0.3231
Mycobacterium ulcerans hypothetical protein 0.0324 0.3776 1
Schistosoma mansoni hypothetical protein 0.0177 0.2004 0.504
Schistosoma mansoni Smad4 0.0017 0.0079 0.0198
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.009 0.0908
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0291 0.338 0.4618
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0314 0.0386
Trypanosoma brucei unspecified product 0.0081 0.0848 0.1122
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0117 0.1285 0.3231
Trichomonas vaginalis CAMK family protein kinase 0.0281 0.3257 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0965 0.2428
Loa Loa (eye worm) Smad1 0.0017 0.0079 0.0198
Schistosoma mansoni hypothetical protein 0.0016 0.0072 0.0181
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0072 0.0181
Brugia malayi ImpB/MucB/SamB family protein 0.0117 0.1285 0.3231
Trichomonas vaginalis set domain proteins, putative 0.0236 0.2719 0.8332
Onchocerca volvulus Serine\/threonine kinase homolog 0.0281 0.3257 1
Plasmodium vivax SET domain protein, putative 0.003 0.0236 0.3299
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0072 0.0072
Plasmodium vivax DNA repair protein REV1, putative 0.0036 0.0314 0.459
Brugia malayi MH2 domain containing protein 0.0017 0.0079 0.0198
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.002 0.0123 0.0121
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0065 0.0665 0.087
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0236 0.0593
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0327 0.0327
Leishmania major DNA damage repair protein, putative 0.0036 0.0314 0.0386
Echinococcus granulosus GA binding protein alpha chain 0.007 0.0722 0.1815
Echinococcus multilocularis geminin 0.0177 0.2004 0.2004
Entamoeba histolytica deoxycytidyl transferase, putative 0.0117 0.1285 0.3628
Trypanosoma brucei DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0072 0.0181
Schistosoma mansoni serine/threonine protein kinase 0.0281 0.3257 0.8192
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0162 0.0176
Leishmania major DNA polymerase kappa, putative 0.0036 0.0314 0.0386
Trypanosoma brucei DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Brugia malayi hypothetical protein 0.0154 0.1731 0.4354
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0614 0.7279 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0298 0.0748
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.1028 0.5039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0965 0.2428
Brugia malayi Dihydrofolate reductase 0.0166 0.1881 0.4732
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0236 0.0593
Onchocerca volvulus 0.0236 0.2719 0.8263
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0236 0.0593
Schistosoma mansoni hypothetical protein 0.0016 0.0072 0.0181
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0086 0.0913 0.4367
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0065 0.0665 0.087
Loa Loa (eye worm) glutathione reductase 0.0038 0.0331 0.0834
Schistosoma mansoni ets-related 0.0213 0.244 0.6138
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0236 0.1938
Loa Loa (eye worm) hypothetical protein 0.0018 0.009 0.0227
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0035 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0965 0.2428
Schistosoma mansoni rotamase 0.0067 0.0684 0.172
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0314 0.0386
Brugia malayi Pre-SET motif family protein 0.003 0.0236 0.0593
Schistosoma mansoni kinase 0.0143 0.1595 0.4012
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0314 0.0386
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0848 0.1122
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.0913 0.2347
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0162 0.0176
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0079 0.0079
Trypanosoma brucei unspecified product 0.0117 0.1285 0.1725
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0236 0.0236
Brugia malayi ImpB/MucB/SamB family protein 0.0117 0.1285 0.3231
Schistosoma mansoni hypothetical protein 0.0016 0.0072 0.0181
Echinococcus multilocularis dna polymerase kappa 0.0117 0.1285 0.1285
Loa Loa (eye worm) hypothetical protein 0.0016 0.0072 0.0181
Trypanosoma cruzi polo-like protein kinase, putative 0.0281 0.3257 0.4448
Loa Loa (eye worm) hypothetical protein 0.0051 0.0492 0.1237
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0078 0.0117
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0079 0.0079
Brugia malayi Fli-1 protein 0.0213 0.244 0.6138
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0117 0.1285 0.3231
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0065 0.0665 0.1625
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0162 0.0407
Brugia malayi MH2 domain containing protein 0.0017 0.0079 0.0198
Trypanosoma cruzi DNA polymerase eta, putative 0.0117 0.1285 0.1725
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0166 0.1881 1
Giardia lamblia DNA damage repair protein 0.0036 0.0314 0.0867
Echinococcus granulosus GPCR family 2 0.0016 0.0072 0.0181
Trypanosoma brucei DNA damage repair protein, putative 0.0036 0.0314 0.0386
Brugia malayi Protein-tyrosine phosphatase containing protein 0.034 0.3976 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0281 0.3257 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0291 0.338 0.4618
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.2374 0.5972
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0314 0.0386
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0064 0.0644 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.0913 0.2347
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0684 0.2015
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.009 0.0908
Loa Loa (eye worm) hypothetical protein 0.0154 0.1731 0.4354
Loa Loa (eye worm) hypothetical protein 0.0018 0.009 0.0227
Loa Loa (eye worm) hypothetical protein 0.0018 0.009 0.0227
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0492 0.1237
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0162 0.0176
Trichomonas vaginalis CAMK family protein kinase 0.0281 0.3257 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0327 0.0822
Brugia malayi hypothetical protein 0.0037 0.0327 0.0822
Leishmania major DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0162 0.034
Trypanosoma cruzi DNA damage repair protein, putative 0.0036 0.0314 0.0386
Trichomonas vaginalis CAMK family protein kinase 0.0281 0.3257 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0314 0.2696
Echinococcus multilocularis dihydrofolate reductase 0.0166 0.1881 0.1881
Trypanosoma brucei DNA polymerase kappa, putative 0.0117 0.1285 0.1725
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0162 0.034
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0072 0.0072
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0067 0.0684 0.172

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.29 nM Cytotoxicity against human DLD1 cells ChEMBL. 21324692
IC50 (functional) = 0.4 nM Cytotoxicity against human HCT15 cells ChEMBL. 21324692

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21324692

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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