Detailed information for compound 416692

Basic information

Technical information
  • TDR Targets ID: 416692
  • Name: (1R,2S,3S,4S,4aR,11bS)-1,2,3,4,7-pentahydroxy -2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5 -j]phenanthridin-6-one
  • MW: 325.271 | Formula: C14H15NO8
  • H donors: 6 H acceptors: 6 LogP: -1.6 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@@H]1[C@@H](O)[C@H](O)[C@@H]2[C@H]([C@@H]1O)NC(=O)c1c2cc2OCOc2c1O
  • InChi: 1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7+,8+,10-,11-,12-/m0/s1
  • InChiKey: VREZDOWOLGNDPW-YLRHGQGQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 10b(s)-epipancratistatin

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
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0054 0.0062
Schistosoma mansoni netrin receptor unc5 0.0032 0.0324 0.0381
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0019 0.0546
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0226 1
Echinococcus granulosus cpg binding protein 0.0031 0.0308 0.0363
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0226 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0306 1
Brugia malayi isocitrate dehydrogenase 0.0019 0.0167 0.0167
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0054 0.0052
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0055 0.0055
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0323 0.3889 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0324 0.0324
Treponema pallidum DNA ligase (lig) 0.001 0.0055 0.5
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0127 0.2005
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0127 0.0127
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0226 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0127 0.0278
Schistosoma mansoni smad 0.001 0.0054 0.0062
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0054 0.0052
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0147 0.0147
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0679 0.0802
Leishmania major hypothetical protein, conserved 0.0016 0.0127 0.0278
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0022 0.0024
Mycobacterium ulcerans hypothetical protein 0.0024 0.0226 1
Schistosoma mansoni hypothetical protein 0.0041 0.0436 0.0514
Schistosoma mansoni patched 1 0.0043 0.0455 0.0537
Brugia malayi MH2 domain containing protein 0.001 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0609 0.072
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.0823 1 1
Schistosoma mansoni topbp1 0.001 0.0055 0.0063
Brugia malayi MH2 domain containing protein 0.0144 0.1697 0.1697
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0055 0.1722
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0167 0.0196
Schistosoma mansoni smad1 5 8 and 0.001 0.0054 0.0062
Brugia malayi Patched related family protein 10 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0055 0.0934
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0455 0.0455
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) paired box protein 0.0006 0.0002 0.0002
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0226 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0167 0.0166
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0055 0.0934
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0167 0.5348
Loa Loa (eye worm) patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0007 0.0019 0.0019
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0167 0.7297
Onchocerca volvulus 0.0006 0.0007 0.0016
Brugia malayi Protein kinase domain containing protein 0.0032 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0016 0.0127 0.0127
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0609 0.072
Loa Loa (eye worm) hypothetical protein 0.0006 0.0002 0.0002
Brugia malayi Patched related family protein 4 0.0006 0.0007 0.0007
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.1167 0.138
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.1148 0.1358
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0167 0.0195
Onchocerca volvulus 0.0029 0.0288 0.0821
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0055 0.1722
Onchocerca volvulus 0.0007 0.0019 0.0051
Schistosoma mansoni microtubule-associated protein tau 0.0696 0.8447 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0019 0.0019
Onchocerca volvulus 0.0006 0.0007 0.0016
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0226 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0818 0.9937 1
Echinococcus granulosus netrin receptor unc 5 0.0032 0.0324 0.0381
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.067 0.067
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0127 0.0278
Loa Loa (eye worm) patched family protein 0.0006 0.0007 0.0007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0609 0.0612
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0226 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0127 0.0127
Echinococcus granulosus expressed conserved protein 0.0093 0.1074 0.127
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0041 0.0436 0.0514
Brugia malayi hypothetical protein 0.001 0.0055 0.0055
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0055 0.08
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.1669 0.1975
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0167 0.0196
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Onchocerca volvulus 0.0007 0.0019 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.014 0.6071
Echinococcus multilocularis GPCR, family 2 0.0019 0.0167 0.0166
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0019 0.0167 0.0167
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0055 0.0934
Schistosoma mansoni smad1 5 8 and 0.001 0.0054 0.0062
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0167 0.5348
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0226 0.0534
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0101 0.01
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0055 0.0092
Giardia lamblia Replication factor C, subunit 1 0.001 0.0055 0.5
Brugia malayi hypothetical protein 0.0006 0.0007 0.0007
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0127 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0055 0.0934
Brugia malayi jmjC domain containing protein 0.0016 0.0127 0.0127
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Schistosoma mansoni cpg binding protein 0.0029 0.0288 0.0339
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0226 0.0226
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1697 0.1697
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0455 0.0456
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0226 0.0226
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0022 0.0024
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0659 0.0662
Brugia malayi jmjC domain containing protein 0.0016 0.0127 0.0127
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0055 0.0315
Schistosoma mansoni hypothetical protein 0.0041 0.0437 0.0515
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0226 0.183
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0167 0.0167
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0679 0.0802
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Schistosoma mansoni cpg binding protein 0.0031 0.0308 0.0363
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0127 0.0148
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0127 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0455 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.1148 0.1148
Loa Loa (eye worm) patched family protein 0.0006 0.0007 0.0007
Echinococcus multilocularis nibrin 0.001 0.0055 0.0054
Brugia malayi Smad1 0.001 0.0054 0.0054
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1697 0.1697
Echinococcus granulosus replication factor c subunit 1 0.001 0.0055 0.0063
Brugia malayi Pax transcription factor protein 2 0.0291 0.3489 0.3489
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0019 0.0127
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0306 0.074
Echinococcus multilocularis smad 0.001 0.0054 0.0052
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0019 0.0205
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0043 0.0042
Brugia malayi hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi jmjC domain containing protein 0.0061 0.0679 0.0679
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.067 0.067
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0055 0.0934
Schistosoma mansoni hypothetical protein 0.0041 0.0436 0.0514
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0226 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0306 0.4999
Entamoeba histolytica hypothetical protein 0.0043 0.0465 0.3948
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0022 0.002
Brugia malayi protein C24B5.3 0.0006 0.0007 0.0007
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0455 0.0537
Brugia malayi CHE-14 protein 0.0043 0.0455 0.0455
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0055 0.0934
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0167 0.0381
Loa Loa (eye worm) hypothetical protein 0.0018 0.0152 0.0152
Schistosoma mansoni hypothetical protein 0.0171 0.2024 0.2395
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0055 0.16
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0019 0.0546
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0167 0.2673
Onchocerca volvulus 0.0291 0.3489 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0306 0.074
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0609 0.0609
Echinococcus multilocularis cpg binding protein 0.0031 0.0308 0.0308
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0019 0.0546
Onchocerca volvulus Protein patched homolog 0.0006 0.0007 0.0016
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0659 0.0662
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0032 0.0325 0.0383
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0226 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0014 0.0101 0.0117
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0609 0.0612
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0127 0.0126
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0152 0.6421
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Onchocerca volvulus 0.0006 0.0007 0.0016
Echinococcus multilocularis expressed conserved protein 0.0093 0.1074 0.108
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0226 0.0534
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0306 0.074
Echinococcus granulosus Smad4 0.001 0.0054 0.0062
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0167 0.0381
Loa Loa (eye worm) hypothetical protein 0.0006 0.0002 0.0002
Schistosoma mansoni topbp1 0.001 0.0055 0.0063
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0306 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0019 0.0205
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0226 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0167 0.0166
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0055 0.0092
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.1148 0.1154
Schistosoma mansoni hypothetical protein 0.0019 0.0167 0.0195
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0127 0.0148
Onchocerca volvulus 0.001 0.0055 0.0153
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus multilocularis protein dispatched 1 0.0049 0.0528 0.053
Brugia malayi Gooseberry protein 0.0006 0.0002 0.0002
Brugia malayi 'Paired box' domain containing protein 0.0006 0.0002 0.0002
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0127 0.0126
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0167 0.0381
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0324 0.0324
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0167 0.0166
Loa Loa (eye worm) Smad1 0.001 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Leishmania major hypothetical protein, conserved 0.003 0.0306 0.074
Onchocerca volvulus 0.0006 0.0007 0.0016
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0043 0.0043
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0226 0.0226
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0226 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0054 0.0054
Echinococcus granulosus GPCR family 2 0.0019 0.0167 0.0195
Loa Loa (eye worm) hypothetical protein 0.0043 0.0455 0.0455
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0127 0.0278
Echinococcus granulosus geminin 0.0171 0.2024 0.2395
Schistosoma mansoni hypothetical protein 0.0041 0.0436 0.0514
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0007 0.0019 0.0409
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0659 0.0778
Loa Loa (eye worm) hypothetical protein 0.006 0.067 0.067
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0019 0.0546
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi hypothetical protein 0.0238 0.2851 0.2851
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus multilocularis Ankyrin 0.0032 0.0325 0.0326
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0152 0.485
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0167 0.0166
Plasmodium falciparum JmjC domain-containing protein, putative 0.0016 0.0127 0.4011
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0055 0.0934
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.4979 0.501
Loa Loa (eye worm) hypothetical protein 0.0151 0.1776 0.1776
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Brugia malayi Patched related family protein 12 0.0006 0.0007 0.0007
Echinococcus granulosus dnaJ subfamily B 0.0412 0.4979 0.5894
Loa Loa (eye worm) hypothetical protein 0.0018 0.0152 0.0152
Brugia malayi topoisomerase 0.001 0.0055 0.0055
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0127 0.0148
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0167 0.0167
Brugia malayi CXXC zinc finger family protein 0.0029 0.0288 0.0288
Schistosoma mansoni hypothetical protein 0.0019 0.0167 0.0195
Echinococcus multilocularis netrin receptor unc 5 0.0032 0.0324 0.0324
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0685 0.0809
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0049 0.0529 0.0624
Loa Loa (eye worm) hypothetical protein 0.0018 0.0152 0.0152
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0679 0.0679
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0226 0.0534
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0019 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0609 0.072
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0055 0.0092
Brugia malayi MH1 domain containing protein 0.001 0.0054 0.0054
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0019 0.0019
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1776 0.1786
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi 'Paired box' domain containing protein 0.0006 0.0002 0.0002
Brugia malayi Death domain containing protein 0.0032 0.0324 0.0324
Loa Loa (eye worm) oxidoreductase 0.0007 0.0019 0.0019
Brugia malayi Muscleblind-like protein 0.0151 0.1776 0.1776
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0679 0.0802
Schistosoma mansoni smad1 5 8 and 0.001 0.0054 0.0062
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0167 0.2673
Brugia malayi Myosin head containing protein 0.0006 0.0007 0.0007
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Entamoeba histolytica hypothetical protein 0.0043 0.0465 0.3948
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0101 0.0117
Onchocerca volvulus 0.0006 0.0007 0.0016
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0055 0.16
Brugia malayi MH2 domain containing protein 0.001 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0032 0.0325 0.0325
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0167 0.0195
Loa Loa (eye worm) hypothetical protein 0.0024 0.0226 0.0226
Brugia malayi DKFZp564C0469 protein 0.001 0.0055 0.0055
Onchocerca volvulus 0.0007 0.0019 0.0051
Loa Loa (eye worm) hypothetical protein 0.0823 1 1
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0465 0.0549
Loa Loa (eye worm) hypothetical protein 0.0006 0.0002 0.0002
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0019 0.0205
Echinococcus multilocularis protein patched 0.0043 0.0455 0.0456
Schistosoma mansoni survival motor neuron protein 0.0049 0.0529 0.0624
Onchocerca volvulus 0.0049 0.0529 0.1511
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0412 0.4979 0.5894
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0605 1
Onchocerca volvulus 0.0006 0.0007 0.0016
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0055 0.0063
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0226 0.183
Brugia malayi Patched protein homolog 1 0.0006 0.0007 0.0007
Brugia malayi hypothetical protein 0.0043 0.0465 0.0465
Schistosoma mansoni hypothetical protein 0.0019 0.0167 0.0195
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0306 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0312 0.3749 0.3772
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0042 0.0042
Loa Loa (eye worm) vab-3 0.0006 0.0002 0.0002
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0032 0.0324 0.0381
Brugia malayi hypothetical protein 0.002 0.0174 0.0174
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0032 0.0324 0.0324
Echinococcus multilocularis Smad4 0.001 0.0054 0.0052
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.1148 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Schistosoma mansoni DNA ligase IV 0.001 0.0055 0.0063
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0055 0.0934
Onchocerca volvulus 0.0007 0.0019 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.0019 0.0409
Brugia malayi jmjC domain containing protein 0.0016 0.0127 0.0127
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0019 0.0127
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Onchocerca volvulus 0.0024 0.0226 0.0643
Entamoeba histolytica hypothetical protein 0.0043 0.0465 0.3948
Loa Loa (eye worm) hypothetical protein 0.0238 0.2851 0.2851
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0127 0.0148
Echinococcus granulosus nibrin 0.001 0.0055 0.0063
Brugia malayi jmjC domain containing protein 0.0059 0.0659 0.0659
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0465 0.0549
Echinococcus multilocularis muscleblind protein 0.0151 0.1776 0.1786
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0323 0.3889 1
Brugia malayi MH1 domain containing protein 0.001 0.0054 0.0054
Brugia malayi vab-3 gene. 0.0006 0.0002 0.0002
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0127 0.0126
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0055 0.0055
Echinococcus granulosus microtubule associated protein 2 0.0696 0.8447 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0226 0.0226
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0152 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0019 0.0546
Loa Loa (eye worm) hypothetical protein 0.0151 0.1776 0.1776
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0024 0.0226 0.0226
Echinococcus granulosus death domain containing protein 0.0032 0.0324 0.0381
Loa Loa (eye worm) patched family protein 0.0006 0.0007 0.0007
Onchocerca volvulus Netrin receptor homolog 0.0032 0.0324 0.0924
Entamoeba histolytica hypothetical protein 0.001 0.0055 0.0315
Schistosoma mansoni hypothetical protein 0.0043 0.0465 0.0549
Schistosoma mansoni ankyrin 23/unc44 0.0032 0.0324 0.0381
Loa Loa (eye worm) hypothetical protein 0.0018 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0323 0.3889 1
Schistosoma mansoni hypothetical protein 0.0032 0.0324 0.0381
Schistosoma mansoni hypothetical protein 0.0019 0.0167 0.0195
Onchocerca volvulus Protein patched homolog 0.0006 0.0007 0.0016
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.014 0.6071
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0167 0.0166
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0019 0.0546
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Brugia malayi paired box protein 0.0006 0.0002 0.0002
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0019 0.0019
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0167 0.0381
Schistosoma mansoni Smad4 0.001 0.0054 0.0062
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.014 0.6071
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus granulosus smad 0.001 0.0054 0.0062
Entamoeba histolytica hypothetical protein 0.0043 0.0465 0.3948
Loa Loa (eye worm) hypothetical protein 0.0016 0.0127 0.0127
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0032 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0019 0.0546
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0147 0.0172
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Brugia malayi hypothetical protein 0.0006 0.0007 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0609 0.072
Brugia malayi protein C24B5.3 0.0006 0.0007 0.0007
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0226 0.183
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.0127 0.2005
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.014 0.6071
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0019 0.0021
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0055 0.08
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.2851 0.3374
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0054 0.0062
Loa Loa (eye worm) hypothetical protein 0.003 0.0306 0.0306
Echinococcus granulosus muscleblind protein 0.0151 0.1776 0.2101
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0055 0.0934
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0019 0.0018
Brugia malayi hypothetical protein 0.001 0.0055 0.0055
Echinococcus multilocularis geminin 0.0171 0.2024 0.2035
Loa Loa (eye worm) hypothetical protein 0.0052 0.0572 0.0572
Loa Loa (eye worm) patched family protein 0.0006 0.0007 0.0007
Brugia malayi hypothetical protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0041 0.0437 0.0437
Echinococcus granulosus Ankyrin 0.0032 0.0325 0.0383
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0152 0.485
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0055 0.0934
Brugia malayi paired box pox-meso protein 0.0006 0.0002 0.0002
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0152 0.6617
Loa Loa (eye worm) pax transcription factor protein 2 0.0291 0.3489 0.3489
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0226 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0167 0.0167
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0659 0.0778
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0167 0.0381
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.1669 0.1678
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0127 0.0148
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0022 0.002
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0054 0.0062
Brugia malayi jmjC domain containing protein 0.0016 0.0127 0.0127
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0019 0.0546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0609 0.072
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0019 0.0546
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0167 0.0166
Plasmodium vivax JmjC domain containing protein 0.0016 0.0127 0.4011
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0167 0.0167
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0019 0.0546
Loa Loa (eye worm) hypothetical protein 0.0018 0.0152 0.0152
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0465 0.0466
Schistosoma mansoni hypothetical protein 0.0171 0.2024 0.2395
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0055 0.0092
Loa Loa (eye worm) hypothetical protein 0.0016 0.0127 0.0127
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0127 0.0148
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0019 0.0546
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0043 0.0049
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0127 0.0148
Onchocerca volvulus 0.0006 0.0007 0.0016
Schistosoma mansoni cpg binding protein 0.0031 0.0308 0.0363
Brugia malayi Uncoordinated protein 44 0.0032 0.0324 0.0324
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0022 0.0024
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0167 0.0166
Brugia malayi hypothetical protein 0.003 0.0306 0.0306
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.2851 0.2868
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0609 0.0609
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.1148 0.1148
Brugia malayi 'Paired box' domain containing protein 0.0006 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Leishmania major malonyl-coa decarboxylase-like protein 0.0323 0.3889 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0288 0.0288
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0055 0.0092
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0455 0.0537
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0529 0.0529
Echinococcus granulosus phd:f box containing protein 0.0016 0.0127 0.0148
Echinococcus multilocularis microtubule associated protein 2 0.0696 0.8447 0.85
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0127 0.0126
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0055 0.0054
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.067 0.067
Echinococcus granulosus nuclear factor of activated T cells 5 0.0312 0.3749 0.4438

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.14 ug ml-1 Growth inhibition of murine P388 cells after 48 hrs ChEMBL. 17346078
ED50 (functional) = 0.14 ug ml-1 Growth inhibition of murine P388 cells after 48 hrs ChEMBL. 17346078
ED50 (functional) = 0.27 ug ml-1 Growth inhibition of human MCF7 cells after 48 hrs ChEMBL. 17346078
ED50 (functional) = 0.27 ug ml-1 Growth inhibition of human MCF7 cells after 48 hrs ChEMBL. 17346078
ED50 (functional) = 0.32 ug ml-1 Growth inhibition of human BXPC3 cells after 48 hrs ChEMBL. 17346078
ED50 (functional) = 0.32 ug ml-1 Growth inhibition of human BXPC3 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) = 0.21 ug ml-1 Growth inhibition of human DU145 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) = 0.21 ug ml-1 Growth inhibition of human DU145 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) = 0.23 ug ml-1 Growth inhibition of human NCI-H460 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) = 0.23 ug ml-1 Growth inhibition of human NCI-H460 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) = 0.26 ug ml-1 Growth inhibition of human SF268 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) = 0.26 ug ml-1 Growth inhibition of human SF268 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) = 0.31 ug ml-1 Growth inhibition of human KM20L2 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) = 0.31 ug ml-1 Growth inhibition of human KM20L2 cells after 48 hrs ChEMBL. 17346078

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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