Detailed information for compound 440502

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.395 | Formula: C18H16N2O5S
  • H donors: 0 H acceptors: 2 LogP: 3.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)c1nnsc1c1ccc2c(c1)OCO2
  • InChi: 1S/C18H16N2O5S/c1-21-14-7-11(8-15(22-2)17(14)23-3)16-18(26-20-19-16)10-4-5-12-13(6-10)25-9-24-12/h4-8H,9H2,1-3H3
  • InChiKey: WEPITKPUNHSFPA-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0015 0.0032 0.1385
Trypanosoma brucei trypanothione reductase 0.0055 0.0166 1
Onchocerca volvulus 0.001 0.0017 0.1693
Schistosoma mansoni hypothetical protein 0.001 0.0017 0.0108
Onchocerca volvulus 0.001 0.0017 0.1693
Onchocerca volvulus Netrin receptor homolog 0.0017 0.004 0.4115
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0012 0.0069
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.3025 1 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.0088 0.0564
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.004 0.2353
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0012 0.0069
Schistosoma mansoni lamin 0.0031 0.0088 0.0564
Schistosoma mansoni glutamate synthase 0.0005 0.0001 0.0006
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0095 0.4131
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Schistosoma mansoni lamin 0.0031 0.0088 0.0564
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.3834
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0047 0.0297
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0005 0.0001 0.0043
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.014 0.0446 0.0446
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0009 0.127
Schistosoma mansoni disulfide oxidoreductase 0.0005 0.0001 0.0006
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Brugia malayi TAR-binding protein 0.0074 0.0228 1
Echinococcus multilocularis lamin dm0 0.0031 0.0088 0.0559
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0005 0.0001 0.0028
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0228 0.1463
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0005 0.0001 0.0043
Echinococcus granulosus lamin 0.0031 0.0088 0.0559
Entamoeba histolytica disulphide oxidoreductase, putative 0.0005 0.0001 0.0043
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0012 0.0069
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0047 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0194 1
Brugia malayi hypothetical protein 0.001 0.0017 0.0699
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.014 0.0446 0.0446
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0047 0.2808
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.004 0.17
Onchocerca volvulus Globin homolog 0.001 0.0017 0.1693
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0028 0.415
Brugia malayi RNA binding protein 0.0074 0.0228 1
Brugia malayi glutathione reductase 0.0055 0.0166 0.7278
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0047 0.0046
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0088 0.3834
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Plasmodium vivax ferrodoxin reductase, putative 0.0005 0.0001 0.0007
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0047 0.0046
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.004 0.0248
Loa Loa (eye worm) histone methyltransferase 0.001 0.0018 0.0769
Onchocerca volvulus 0.0031 0.0088 0.9281
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0018 0.011
Echinococcus multilocularis geminin 0.0197 0.0637 0.408
Toxoplasma gondii thioredoxin reductase 0.0055 0.0166 0.8577
Echinococcus multilocularis Ankyrin 0.0017 0.004 0.0251
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.3025 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0005 0.0001 0.0033
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0166 0.0166
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0028 0.1642
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0047 0.2803
Echinococcus multilocularis musashi 0.0031 0.0088 0.0559
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0088 0.3834
Echinococcus granulosus bloom syndrome protein 0.0025 0.0066 0.042
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0228 0.1463
Schistosoma mansoni globin X 0.001 0.0017 0.0108
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0126 0.04 0.0399
Schistosoma mansoni cpg binding protein 0.0035 0.0101 0.0648
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0047 0.2803
Loa Loa (eye worm) RecQ helicase 0.0025 0.0066 0.288
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0039 0.1979
Echinococcus multilocularis netrin receptor unc 5 0.0017 0.004 0.0248
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0018 0.0891
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0005 0.0001 0.0033
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0018 0.0756
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0228 0.1463
Loa Loa (eye worm) RNA binding protein 0.0074 0.0228 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0012 0.0074
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.004 0.0248
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0228 1
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.004 0.0253
Onchocerca volvulus 0.001 0.0017 0.1693
Mycobacterium ulcerans isocitrate lyase Icl 0.3025 1 1
Trichomonas vaginalis helicase, putative 0.0008 0.0009 0.127
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0017 0.004 0.0256
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0228 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Leishmania major adenylate cyclase-like protein 0.001 0.0017 0.0961
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0018 0.0756
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0166 0.1061
Schistosoma mansoni sulfide quinone reductase 0.0005 0.0001 0.0006
Onchocerca volvulus 0.0031 0.0088 0.9281
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Leishmania major trypanothione reductase 0.0055 0.0166 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0019 0.0047 0.0046
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0047 0.7085
Loa Loa (eye worm) hypothetical protein 0.0017 0.004 0.172
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0166 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0005 0.0001 0.0007
Schistosoma mansoni DNA helicase recq1 0.001 0.0018 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0166 0.1061
Echinococcus multilocularis cpg binding protein 0.0035 0.0101 0.0643
Schistosoma mansoni glutamate synthase 0.0005 0.0001 0.0006
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0047 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0034 0.0214
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0047 0.2803
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0031 0.1303
Schistosoma mansoni hypothetical protein 0.0017 0.004 0.0253
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.004 0.1711
Mycobacterium ulcerans isocitrate lyase AceAb 0.3025 1 1
Schistosoma mansoni cpg binding protein 0.0035 0.0101 0.0648
Brugia malayi Death domain containing protein 0.0017 0.004 0.17
Loa Loa (eye worm) hypothetical protein 0.0015 0.0034 0.1469
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0056 0.3353
Mycobacterium tuberculosis Probable dehydrogenase 0.0126 0.04 0.0399
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0012 0.0069
Brugia malayi hypothetical protein 0.001 0.0017 0.0699
Plasmodium vivax glutathione reductase, putative 0.0055 0.0166 1
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0166 0.7278
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.3025 1 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0047 0.0303
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0018 0.0891
Schistosoma mansoni blooms syndrome DNA helicase 0.0005 0.0001 0.0009
Plasmodium falciparum thioredoxin reductase 0.0019 0.0047 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0047 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0031 0.1303
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0066 0.288
Onchocerca volvulus 0.001 0.0017 0.1693
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Loa Loa (eye worm) globin family protein 0.001 0.0017 0.0699
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0028 1
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0005 0.0001 0.0007
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0005 0.0001 0.0043
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0018 0.0112
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.014 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0017 0.004 0.17
Mycobacterium tuberculosis Probable reductase 0.0126 0.04 0.0399
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0047 0.2803
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Mycobacterium tuberculosis Probable monooxygenase 0.001 0.0017 0.0016
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0018 0.075
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0005 0.0001 0.0043
Echinococcus multilocularis tar DNA binding protein 0.0074 0.0228 0.1458
Echinococcus granulosus geminin 0.0197 0.0637 0.408
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0034 0.0214
Loa Loa (eye worm) glutathione reductase 0.0055 0.0166 0.7278
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0018 0.011
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0018 0.0112
Loa Loa (eye worm) globin family protein 0.001 0.0017 0.0699
Schistosoma mansoni hypothetical protein 0.0197 0.0637 0.4083
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0047 0.7085
Brugia malayi hypothetical protein 0.001 0.0017 0.0699
Schistosoma mansoni cpg binding protein 0.0033 0.0095 0.0608
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0047 0.2803
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0166 1
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0049 0.0314
Plasmodium falciparum glutathione reductase 0.0019 0.0047 0.2803
Brugia malayi Globin family protein 0.001 0.0017 0.0699
Echinococcus multilocularis lamin 0.0031 0.0088 0.0559
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0228 0.1463
Loa Loa (eye worm) hypothetical protein 0.002 0.005 0.2148
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0018 0.1039
Brugia malayi Globin family protein 0.001 0.0017 0.0699
Brugia malayi Thioredoxin reductase 0.0055 0.0166 0.7278
Onchocerca volvulus 0.001 0.0017 0.1693
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Echinococcus granulosus dnaJ subfamily B 0.0476 0.1561 1
Treponema pallidum NADH oxidase 0.0019 0.0047 1
Echinococcus granulosus tar DNA binding protein 0.0074 0.0228 0.1458
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0088 0.3834
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0126 0.04 0.0399
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0126 0.04 0.0399
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0219 0.1403
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0047 0.2404
Schistosoma mansoni netrin receptor unc5 0.0017 0.004 0.0253
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0047 0.2803
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0018 0.3705
Mycobacterium ulcerans monooxygenase 0.001 0.0017 0.0016
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0756
Schistosoma mansoni myoglobin 1 0.001 0.0017 0.0108
Brugia malayi hypothetical protein 0.001 0.0017 0.0699
Echinococcus granulosus Ankyrin 0.0017 0.004 0.0251
Brugia malayi Hypothetical 22.2 kDa protein C28F5.2 in chromosome II, putative 0.001 0.0017 0.0699
Echinococcus granulosus netrin receptor unc 5 0.0017 0.004 0.0248
Brugia malayi Globin family protein 0.001 0.0017 0.0699
Schistosoma mansoni sulfide quinone reductase 0.0005 0.0001 0.0006
Brugia malayi Uncoordinated protein 44 0.0017 0.004 0.17
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Schistosoma mansoni DNA helicase recq5 0.001 0.0018 0.0116
Loa Loa (eye worm) hypothetical protein 0.0005 0.0001 0.0024
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0228 0.1463
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0047 0.2803
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0228 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0066 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0047 0.2803
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0005 0.0001 0.0043
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0126 0.04 0.0399
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0066 0.042
Plasmodium falciparum thioredoxin reductase 0.0055 0.0166 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0018 0.011
Brugia malayi intermediate filament protein 0.0031 0.0088 0.3834
Mycobacterium tuberculosis Probable oxidoreductase 0.014 0.0446 0.0446
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.004 0.1711
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0086 0.0268 0.1712
Echinococcus granulosus nuclear factor of activated T cells 5 0.0086 0.0268 0.1712
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0047 0.0046
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0009 0.127
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0047 0.204
Brugia malayi Protein kinase domain containing protein 0.0017 0.004 0.17
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.004 0.17
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Brugia malayi CXXC zinc finger family protein 0.0033 0.0095 0.4131
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0047 0.2803
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Entamoeba histolytica thioredoxin reductase, putative 0.0005 0.0001 0.0043
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0028 0.1642
Entamoeba histolytica recQ family DNA helicase 0.0005 0.0001 0.0241
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0047 0.2808
Mycobacterium leprae Isocitrate lyase 0.1418 0.4679 0.4679
Schistosoma mansoni hypothetical protein 0.0005 0.0001 0.0006
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0066 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0018 0.0756
Echinococcus multilocularis dnaJ subfamily B 0.0476 0.1561 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0047 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0047 0.0297
Echinococcus granulosus lamin dm0 0.0031 0.0088 0.0559
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0028 0.1642
Echinococcus granulosus death domain containing protein 0.0017 0.004 0.0248
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Schistosoma mansoni glutamate synthase 0.0005 0.0001 0.0006
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0047 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0086 0.375
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0126 0.04 0.0399
Plasmodium falciparum glutathione reductase 0.0055 0.0166 1
Schistosoma mansoni hypothetical protein 0.0476 0.1561 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0032 0.1385
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Treponema pallidum ATP-dependent DNA helicase 0.0005 0.0001 0.0117
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0018 0.011
Onchocerca volvulus 0.0033 0.0095 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0047 0.2803
Echinococcus granulosus cpg binding protein 0.0035 0.0101 0.0643
Echinococcus granulosus intermediate filament protein 0.0031 0.0088 0.0559
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0047 0.2404
Schistosoma mansoni hypothetical protein 0.0197 0.0637 0.4083

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 50.2 nM Antiproliferative activity against human HL60 cells ChEMBL. 17174089
IC50 (functional) = 50.2 nM Antiproliferative activity against human HL60 cells ChEMBL. 17174089
IC50 (ADMET) = 73.9 nM Antiproliferative activity against human HMEC1 cells ChEMBL. 17174089
IC50 (functional) = 86.6 nM Antiproliferative activity against human HCT116 cells ChEMBL. 17174089
IC50 (functional) = 86.6 nM Antiproliferative activity against human HCT116 cells ChEMBL. 17174089

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17174089

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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