Detailed information for compound 1665773

Basic information

Technical information
  • Name: Unnamed compound
  • 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-/m1/s1
  • InChiKey: VREZDOWOLGNDPW-VAQXVFCMSA-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) patched family protein 0.0006 0.0007 0.0007
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) jmjC domain-containing protein 0.0016 0.0127 0.0127
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0127 0.0148
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0019 0.0127
Brugia malayi Pax transcription factor protein 2 0.0291 0.3489 0.3489
Echinococcus granulosus replication factor c subunit 1 0.001 0.0055 0.0063
Echinococcus multilocularis nibrin 0.001 0.0055 0.0054
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1697 0.1697
Brugia malayi Smad1 0.001 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Echinococcus multilocularis smad 0.001 0.0054 0.0052
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0306 0.074
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
Brugia malayi jmjC domain containing protein 0.0061 0.0679 0.0679
Brugia malayi hypothetical protein 0.0006 0.0007 0.0007
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0043 0.0042
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0019 0.0205
Entamoeba histolytica hypothetical protein 0.0043 0.0465 0.3948
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0306 0.4999
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0226 1
Schistosoma mansoni hypothetical protein 0.0041 0.0436 0.0514
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0455 0.0537
Brugia malayi protein C24B5.3 0.0006 0.0007 0.0007
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0022 0.002
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0055 0.0934
Brugia malayi CHE-14 protein 0.0043 0.0455 0.0455
Loa Loa (eye worm) hypothetical protein 0.0018 0.0152 0.0152
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0167 0.0381
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi hypothetical protein 0.0006 0.0007 0.0007
Giardia lamblia Replication factor C, subunit 1 0.001 0.0055 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0055 0.0092
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0101 0.01
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0437 0.0437
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0055 0.0934
Brugia malayi jmjC domain containing protein 0.0016 0.0127 0.0127
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0127 0.0148
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0226 0.0226
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Schistosoma mansoni cpg binding protein 0.0029 0.0288 0.0339
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0022 0.0024
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
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1697 0.1697
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0055 0.0315
Brugia malayi jmjC domain containing protein 0.0016 0.0127 0.0127
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0659 0.0662
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0679 0.0802
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
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0167 0.0167
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0226 0.183
Schistosoma mansoni hypothetical protein 0.0041 0.0437 0.0515
Schistosoma mansoni cpg binding protein 0.0031 0.0308 0.0363
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0167 0.0166
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0226 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0055 0.0092
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0127 0.0148
Onchocerca volvulus 0.001 0.0055 0.0153
Schistosoma mansoni hypothetical protein 0.0019 0.0167 0.0195
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.1148 0.1154
Echinococcus multilocularis protein dispatched 1 0.0049 0.0528 0.053
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
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 Gooseberry protein 0.0006 0.0002 0.0002
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0167 0.0166
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0324 0.0324
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0043 0.0043
Onchocerca volvulus 0.0006 0.0007 0.0016
Leishmania major hypothetical protein, conserved 0.003 0.0306 0.074
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Loa Loa (eye worm) Smad1 0.001 0.0054 0.0054
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0226 0.0226
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0055 0.16
Schistosoma mansoni hypothetical protein 0.0171 0.2024 0.2395
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0019 0.0546
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0306 0.074
Onchocerca volvulus 0.0291 0.3489 1
Echinococcus multilocularis cpg binding protein 0.0031 0.0308 0.0308
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0609 0.0609
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0167 0.2673
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0019 0.0546
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0032 0.0325 0.0383
Onchocerca volvulus Protein patched homolog 0.0006 0.0007 0.0016
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0659 0.0662
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0127 0.0126
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0609 0.0612
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0002 0.0002
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0226 1
Schistosoma mansoni hypothetical protein 0.0014 0.0101 0.0117
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0152 0.6421
Onchocerca volvulus 0.0006 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.0006 0.0002 0.0002
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0167 0.0381
Echinococcus granulosus Smad4 0.001 0.0054 0.0062
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0306 0.074
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
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0019 0.0205
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0306 1
Schistosoma mansoni topbp1 0.001 0.0055 0.0063
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0679 0.0802
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0147 0.0147
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
Mycobacterium ulcerans hypothetical protein 0.0024 0.0226 1
Schistosoma mansoni hypothetical protein 0.0041 0.0436 0.0514
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0022 0.0024
Leishmania major hypothetical protein, conserved 0.0016 0.0127 0.0278
Schistosoma mansoni topbp1 0.001 0.0055 0.0063
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.0823 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0609 0.072
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi MH2 domain containing protein 0.001 0.0054 0.0054
Schistosoma mansoni patched 1 0.0043 0.0455 0.0537
Schistosoma mansoni smad1 5 8 and 0.001 0.0054 0.0062
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0167 0.0196
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
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0055 0.1722
Brugia malayi MH2 domain containing protein 0.0144 0.1697 0.1697
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0055 0.0934
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Loa Loa (eye worm) hypothetical 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
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
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
Schistosoma mansoni netrin receptor unc5 0.0032 0.0324 0.0381
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0054 0.0062
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0306 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0226 1
Echinococcus granulosus cpg binding protein 0.0031 0.0308 0.0363
Brugia malayi isocitrate dehydrogenase 0.0019 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0032 0.0324 0.0324
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0323 0.3889 1
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0055 0.0055
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0054 0.0052
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0127 0.2005
Treponema pallidum DNA ligase (lig) 0.001 0.0055 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0226 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0127 0.0127
Schistosoma mansoni smad 0.001 0.0054 0.0062
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0127 0.0278
Schistosoma mansoni hypothetical protein 0.0041 0.0436 0.0514
Echinococcus granulosus expressed conserved protein 0.0093 0.1074 0.127
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.1669 0.1975
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0055 0.08
Brugia malayi hypothetical protein 0.001 0.0055 0.0055
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0167 0.0196
Onchocerca volvulus 0.0007 0.0019 0.0051
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Echinococcus multilocularis GPCR, family 2 0.0019 0.0167 0.0166
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (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
Loa Loa (eye worm) hypothetical protein 0.0019 0.0167 0.0167
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Schistosoma mansoni smad1 5 8 and 0.001 0.0054 0.0062
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0055 0.0934
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0226 0.0534
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0167 0.5348
Loa Loa (eye worm) patched family protein 0.0006 0.0007 0.0007
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0167 0.5348
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0226 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0055 0.0934
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0167 0.0166
Brugia malayi Protein kinase domain containing protein 0.0032 0.0324 0.0324
Onchocerca volvulus 0.0006 0.0007 0.0016
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
Loa Loa (eye worm) hypothetical protein 0.0006 0.0002 0.0002
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
Onchocerca volvulus 0.0029 0.0288 0.0821
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0167 0.0195
Brugia malayi Patched related family protein 4 0.0006 0.0007 0.0007
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.1148 0.1358
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.1167 0.138
Loa Loa (eye worm) hypothetical protein 0.0007 0.0019 0.0019
Schistosoma mansoni microtubule-associated protein tau 0.0696 0.8447 1
Onchocerca volvulus 0.0007 0.0019 0.0051
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0055 0.1722
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0127 0.0278
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.067 0.067
Echinococcus granulosus netrin receptor unc 5 0.0032 0.0324 0.0381
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0818 0.9937 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0226 1
Onchocerca volvulus 0.0006 0.0007 0.0016
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0226 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0609 0.0612
Loa Loa (eye worm) patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0127 0.0127
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0147 0.0172
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0019 0.0546
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi protein C24B5.3 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 hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0019 0.0021
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.014 0.6071
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
Loa Loa (eye worm) hypothetical protein 0.003 0.0306 0.0306
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0054 0.0062
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.2851 0.3374
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0055 0.08
Brugia malayi hypothetical protein 0.001 0.0055 0.0055
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0019 0.0018
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0055 0.0934
Echinococcus granulosus muscleblind protein 0.0151 0.1776 0.2101
Brugia malayi hypothetical protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0041 0.0437 0.0437
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
Echinococcus multilocularis geminin 0.0171 0.2024 0.2035
Echinococcus granulosus Ankyrin 0.0032 0.0325 0.0383
Loa Loa (eye worm) pax transcription factor protein 2 0.0291 0.3489 0.3489
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0152 0.6617
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0055 0.0934
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0152 0.485
Brugia malayi paired box pox-meso protein 0.0006 0.0002 0.0002
Onchocerca volvulus Netrin receptor homolog 0.0032 0.0324 0.0924
Entamoeba histolytica hypothetical protein 0.001 0.0055 0.0315
Loa Loa (eye worm) patched family protein 0.0006 0.0007 0.0007
Echinococcus granulosus death domain containing protein 0.0032 0.0324 0.0381
Loa Loa (eye worm) hypothetical protein 0.0024 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Schistosoma mansoni ankyrin 23/unc44 0.0032 0.0324 0.0381
Schistosoma mansoni hypothetical protein 0.0043 0.0465 0.0549
Schistosoma mansoni hypothetical protein 0.0032 0.0324 0.0381
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0323 0.3889 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0018 0.0152 0.0152
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0019 0.0546
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0167 0.0166
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.014 0.6071
Onchocerca volvulus Protein patched homolog 0.0006 0.0007 0.0016
Schistosoma mansoni hypothetical protein 0.0019 0.0167 0.0195
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0019 0.0019
Brugia malayi paired box protein 0.0006 0.0002 0.0002
Entamoeba histolytica hypothetical protein 0.0043 0.0465 0.3948
Echinococcus granulosus smad 0.001 0.0054 0.0062
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.014 0.6071
Schistosoma mansoni Smad4 0.001 0.0054 0.0062
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0167 0.0381
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0032 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0016 0.0127 0.0127
Brugia malayi Uncoordinated protein 44 0.0032 0.0324 0.0324
Schistosoma mansoni cpg binding protein 0.0031 0.0308 0.0363
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0022 0.0024
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0055
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.2851 0.2868
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0167 0.0166
Brugia malayi hypothetical protein 0.003 0.0306 0.0306
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 Niemann-Pick C1 protein precursor 0.0099 0.1148 0.1148
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0609 0.0609
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0529 0.0529
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0455 0.0537
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0055 0.0092
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0288 0.0288
Leishmania major malonyl-coa decarboxylase-like protein 0.0323 0.3889 1
Echinococcus granulosus phd:f box containing protein 0.0016 0.0127 0.0148
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0055 0.0054
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0127 0.0126
Echinococcus multilocularis microtubule associated protein 2 0.0696 0.8447 0.85
Echinococcus granulosus nuclear factor of activated T cells 5 0.0312 0.3749 0.4438
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.067 0.067
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0659 0.0778
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0167 0.0167
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0167 0.0381
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0226 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0022 0.002
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0127 0.0148
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.1669 0.1678
Plasmodium vivax JmjC domain containing protein 0.0016 0.0127 0.4011
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0019 0.0546
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0167 0.0166
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0609 0.072
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 TGF-beta signal transducer Smad2 0.001 0.0054 0.0062
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0018 0.0152 0.0152
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0019 0.0546
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0055 0.0092
Schistosoma mansoni hypothetical protein 0.0171 0.2024 0.2395
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0465 0.0466
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0019 0.0546
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0127 0.0148
Loa Loa (eye worm) hypothetical protein 0.0016 0.0127 0.0127
Onchocerca volvulus 0.0006 0.0007 0.0016
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0127 0.0148
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 dnaJ subfamily B 0.0412 0.4979 0.5894
Brugia malayi Patched related family protein 12 0.0006 0.0007 0.0007
Brugia malayi CXXC zinc finger family protein 0.0029 0.0288 0.0288
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0167 0.0167
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0127 0.0148
Brugia malayi topoisomerase 0.001 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0018 0.0152 0.0152
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0049 0.0529 0.0624
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
Schistosoma mansoni hypothetical protein 0.0019 0.0167 0.0195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0609 0.072
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
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0019 0.0021
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 muscleblind protein 1 0.0151 0.1776 0.1786
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0019 0.0019
Brugia malayi MH1 domain containing protein 0.001 0.0054 0.0054
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0055 0.0092
Loa Loa (eye worm) oxidoreductase 0.0007 0.0019 0.0019
Brugia malayi Death domain containing protein 0.0032 0.0324 0.0324
Brugia malayi 'Paired box' domain containing protein 0.0006 0.0002 0.0002
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0167 0.2673
Schistosoma mansoni smad1 5 8 and 0.001 0.0054 0.0062
Brugia malayi Muscleblind-like protein 0.0151 0.1776 0.1776
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0679 0.0802
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0101 0.0117
Brugia malayi Myosin head containing protein 0.0006 0.0007 0.0007
Entamoeba histolytica hypothetical protein 0.0043 0.0465 0.3948
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0043 0.0455 0.0455
Echinococcus granulosus GPCR family 2 0.0019 0.0167 0.0195
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0127 0.0278
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0054 0.0054
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) hypothetical protein 0.001 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0041 0.0436 0.0514
Echinococcus granulosus geminin 0.0171 0.2024 0.2395
Loa Loa (eye worm) hypothetical protein 0.006 0.067 0.067
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 0.0006 0.0007 0.0007
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0019 0.0019
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) hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi hypothetical protein 0.0238 0.2851 0.2851
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0167 0.0166
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0152 0.485
Echinococcus multilocularis Ankyrin 0.0032 0.0325 0.0326
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.4979 0.501
Loa Loa (eye worm) hypothetical protein 0.0151 0.1776 0.1776
Plasmodium falciparum JmjC domain-containing protein, putative 0.0016 0.0127 0.4011
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0055 0.0934
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Schistosoma mansoni DNA ligase IV 0.001 0.0055 0.0063
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.1148 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0019 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0055 0.0934
Brugia malayi jmjC domain containing protein 0.0016 0.0127 0.0127
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0019 0.0127
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.0019 0.0409
Onchocerca volvulus 0.0007 0.0019 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Entamoeba histolytica hypothetical protein 0.0043 0.0465 0.3948
Onchocerca volvulus 0.0024 0.0226 0.0643
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
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
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0323 0.3889 1
Echinococcus multilocularis muscleblind protein 0.0151 0.1776 0.1786
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0127 0.0148
Loa Loa (eye worm) hypothetical protein 0.0238 0.2851 0.2851
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0055 0.0055
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0127 0.0126
Brugia malayi vab-3 gene. 0.0006 0.0002 0.0002
Brugia malayi MH1 domain containing protein 0.001 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0151 0.1776 0.1776
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 0.0024 0.0226 0.0226
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0152 1
Echinococcus granulosus microtubule associated protein 2 0.0696 0.8447 1
Brugia malayi MH2 domain containing protein 0.001 0.0054 0.0054
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0055 0.16
Onchocerca volvulus 0.0006 0.0007 0.0016
Brugia malayi DKFZp564C0469 protein 0.001 0.0055 0.0055
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
Loa Loa (eye worm) hypothetical protein 0.0032 0.0325 0.0325
Echinococcus multilocularis protein patched 0.0043 0.0455 0.0456
Loa Loa (eye worm) hypothetical protein 0.0006 0.0002 0.0002
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0465 0.0549
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0019 0.0205
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0823 1 1
Onchocerca volvulus 0.0007 0.0019 0.0051
Onchocerca volvulus 0.0049 0.0529 0.1511
Schistosoma mansoni survival motor neuron protein 0.0049 0.0529 0.0624
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0605 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0412 0.4979 0.5894
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0054 0.0054
Brugia malayi Patched family protein 0.0006 0.0007 0.0007
Brugia malayi Patched protein homolog 1 0.0006 0.0007 0.0007
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0226 0.183
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0055 0.0063
Onchocerca volvulus 0.0006 0.0007 0.0016
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0032 0.0324 0.0381
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0306 1
Loa Loa (eye worm) vab-3 0.0006 0.0002 0.0002
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0042 0.0042
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0312 0.3749 0.3772
Schistosoma mansoni hypothetical protein 0.0019 0.0167 0.0195
Brugia malayi hypothetical protein 0.0043 0.0465 0.0465
Echinococcus multilocularis Smad4 0.001 0.0054 0.0052
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0032 0.0324 0.0324
Brugia malayi hypothetical protein 0.002 0.0174 0.0174

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.69 ug ml-1 Cytotoxicity against mouse P388 cells after 48 hrs by cell counting ChEMBL. 22413911
GI50 (functional) = 1.7 ug ml-1 Cytotoxicity against human BxPC3 cells after 48 hrs by SRB assay ChEMBL. 22413911

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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