Detailed information for compound 440516

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)c1snnc1c1ccc2c(c1)OCO2
  • InChi: 1S/C18H16N2O5S/c1-21-14-7-11(8-15(22-2)17(14)23-3)18-16(19-20-26-18)10-4-5-12-13(6-10)25-9-24-12/h4-8H,9H2,1-3H3
  • InChiKey: GNSIGKCUUIANFO-UHFFFAOYSA-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
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0047 0.2803
Brugia malayi Globin family protein 0.001 0.0017 0.0699
Schistosoma mansoni cpg binding protein 0.0033 0.0095 0.0608
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0047 1
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0049 0.0314
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.004 0.0248
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0047 0.0297
Schistosoma mansoni hypothetical protein 0.0197 0.0637 0.4083
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0228 0.1463
Loa Loa (eye worm) glutathione reductase 0.0055 0.0166 0.7278
Echinococcus multilocularis musashi 0.0031 0.0088 0.0559
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0012 0.0074
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0228 1
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0166 1
Schistosoma mansoni cpg binding protein 0.0035 0.0101 0.0648
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.3025 1 1
Brugia malayi Globin family protein 0.001 0.0017 0.0699
Brugia malayi RNA binding protein 0.0074 0.0228 1
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0047 0.2803
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Loa Loa (eye worm) hypothetical protein 0.002 0.005 0.2148
Trichomonas vaginalis helicase, putative 0.0008 0.0009 0.127
Brugia malayi Globin family protein 0.001 0.0017 0.0699
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Loa Loa (eye worm) hypothetical protein 0.0017 0.004 0.172
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0047 0.7085
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0028 0.1642
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0095 0.4131
Schistosoma mansoni cpg binding protein 0.0035 0.0101 0.0648
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0166 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0018 0.0891
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0047 0.2808
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0126 0.04 0.0399
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0047 0.0046
Entamoeba histolytica thioredoxin reductase, putative 0.0005 0.0001 0.0043
Plasmodium falciparum thioredoxin reductase 0.0055 0.0166 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.014 0.0446 0.0446
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0017 0.004 0.0256
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0047 0.2803
Echinococcus granulosus dnaJ subfamily B 0.0476 0.1561 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0018 0.0112
Mycobacterium ulcerans monooxygenase 0.001 0.0017 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.014 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0031 0.0086 0.375
Schistosoma mansoni blooms syndrome DNA helicase 0.0005 0.0001 0.0009
Plasmodium vivax glutathione reductase, putative 0.0055 0.0166 1
Mycobacterium ulcerans isocitrate lyase Icl 0.3025 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.3834
Brugia malayi hypothetical protein 0.001 0.0017 0.0699
Brugia malayi hypothetical protein 0.001 0.0017 0.0699
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0047 0.2803
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0756
Onchocerca volvulus 0.001 0.0017 0.1693
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0005 0.0001 0.0033
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0219 0.1403
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0012 0.0069
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0228 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0047 0.2803
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0126 0.04 0.0399
Echinococcus granulosus death domain containing protein 0.0017 0.004 0.0248
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0018 0.011
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0047 0.0297
Brugia malayi hypothetical protein 0.001 0.0017 0.0699
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0047 0.2803
Loa Loa (eye worm) RecQ helicase 0.0025 0.0066 0.288
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.014 0.0446 0.0446
Echinococcus multilocularis dnaJ subfamily B 0.0476 0.1561 1
Onchocerca volvulus 0.0031 0.0088 0.9281
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Schistosoma mansoni lamin 0.0031 0.0088 0.0564
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.004 0.1711
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0194 1
Echinococcus granulosus lamin dm0 0.0031 0.0088 0.0559
Schistosoma mansoni glutamate synthase 0.0005 0.0001 0.0006
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0005 0.0001 0.0043
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0018 0.0756
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0005 0.0001 0.0033
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0039 0.1979
Treponema pallidum NADH oxidase 0.0019 0.0047 1
Brugia malayi CXXC zinc finger family protein 0.0033 0.0095 0.4131
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0126 0.04 0.0399
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0018 0.0756
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0018 0.1039
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0005 0.0001 0.0043
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0028 0.1642
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0005 0.0001 0.0007
Onchocerca volvulus 0.001 0.0017 0.1693
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0047 0.2404
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0018 0.0756
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Leishmania major trypanothione reductase 0.0055 0.0166 1
Schistosoma mansoni hypothetical protein 0.0476 0.1561 1
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0066 0.288
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0012 0.0069
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0228 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.004 0.1711
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0047 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0009 0.127
Treponema pallidum ATP-dependent DNA helicase 0.0005 0.0001 0.0117
Schistosoma mansoni DNA helicase recq1 0.001 0.0018 0.0116
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0047 0.0046
Schistosoma mansoni myoglobin 1 0.001 0.0017 0.0108
Plasmodium vivax ferrodoxin reductase, putative 0.0005 0.0001 0.0007
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0047 0.2803
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0005 0.0001 0.0028
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0126 0.04 0.0399
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.004 0.17
Schistosoma mansoni netrin receptor unc5 0.0017 0.004 0.0253
Loa Loa (eye worm) hypothetical protein 0.0005 0.0001 0.0024
Schistosoma mansoni hypothetical protein 0.0005 0.0001 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Echinococcus granulosus Ankyrin 0.0017 0.004 0.0251
Leishmania major adenylate cyclase-like protein 0.001 0.0017 0.0961
Plasmodium falciparum glutathione reductase 0.0055 0.0166 1
Mycobacterium ulcerans isocitrate lyase AceAb 0.3025 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0009 0.127
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0031 0.1303
Schistosoma mansoni lamin 0.0031 0.0088 0.0564
Loa Loa (eye worm) hypothetical protein 0.0017 0.004 0.17
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0018 0.3705
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0047 0.7085
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0166 0.0166
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0012 0.0069
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0047 0.0303
Schistosoma mansoni hypothetical protein 0.001 0.0017 0.0108
Plasmodium falciparum thioredoxin reductase 0.0019 0.0047 0.2803
Loa Loa (eye worm) hypothetical protein 0.0015 0.0034 0.1469
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0018 0.011
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0034 0.0214
Brugia malayi TAR-binding protein 0.0074 0.0228 1
Loa Loa (eye worm) histone methyltransferase 0.001 0.0018 0.0769
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0166 0.1061
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.004 0.2353
Onchocerca volvulus 0.0033 0.0095 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0018 0.075
Schistosoma mansoni sulfide quinone reductase 0.0005 0.0001 0.0006
Brugia malayi Death domain containing protein 0.0017 0.004 0.17
Schistosoma mansoni hypothetical protein 0.0197 0.0637 0.4083
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0228 0.1463
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0028 0.415
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0028 0.1642
Schistosoma mansoni globin X 0.001 0.0017 0.0108
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.3025 1 1
Onchocerca volvulus 0.0031 0.0088 0.9281
Onchocerca volvulus 0.001 0.0017 0.1693
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Schistosoma mansoni glutamate synthase 0.0005 0.0001 0.0006
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0019 0.0047 0.0046
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0047 0.2803
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
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0028 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0047 0.2803
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0018 0.0891
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0088 0.3834
Onchocerca volvulus 0.001 0.0017 0.1693
Entamoeba histolytica disulphide oxidoreductase, putative 0.0005 0.0001 0.0043
Loa Loa (eye worm) hypothetical protein 0.0015 0.0032 0.1385
Mycobacterium tuberculosis Probable monooxygenase 0.001 0.0017 0.0016
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0699
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0047 1
Onchocerca volvulus 0.001 0.0017 0.1693
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0066 1
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0166 0.7278
Echinococcus granulosus bloom syndrome protein 0.0025 0.0066 0.042
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Echinococcus multilocularis Ankyrin 0.0017 0.004 0.0251
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0066 1
Schistosoma mansoni disulfide oxidoreductase 0.0005 0.0001 0.0006
Onchocerca volvulus Globin homolog 0.001 0.0017 0.1693
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0005 0.0001 0.0007
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0047 0.2404
Toxoplasma gondii thioredoxin reductase 0.0055 0.0166 0.8577
Brugia malayi intermediate filament protein 0.0031 0.0088 0.3834
Echinococcus multilocularis lamin dm0 0.0031 0.0088 0.0559
Plasmodium falciparum glutathione reductase 0.0019 0.0047 0.2803
Brugia malayi glutathione reductase 0.0055 0.0166 0.7278
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0228 0.1463
Echinococcus granulosus geminin 0.0197 0.0637 0.408
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0047 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0126 0.04 0.0399
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0066 0.042
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0088 0.3834
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0047 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0228 0.1463
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0047 0.2808
Echinococcus granulosus lamin 0.0031 0.0088 0.0559
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0018 0.011
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0012 0.0069
Onchocerca volvulus Netrin receptor homolog 0.0017 0.004 0.4115
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.004 0.0253
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0056 0.3353
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0031 0.1303
Brugia malayi Hypothetical 22.2 kDa protein C28F5.2 in chromosome II, putative 0.001 0.0017 0.0699
Schistosoma mansoni sulfide quinone reductase 0.0005 0.0001 0.0006
Trypanosoma brucei trypanothione reductase 0.0055 0.0166 1
Brugia malayi Protein kinase domain containing protein 0.0017 0.004 0.17
Echinococcus granulosus tar DNA binding protein 0.0074 0.0228 0.1458
Brugia malayi Thioredoxin reductase 0.0055 0.0166 0.7278
Echinococcus multilocularis netrin receptor unc 5 0.0017 0.004 0.0248
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0166 0.1061
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0088 0.3834
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0228 0.1463
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0005 0.0001 0.0043
Echinococcus granulosus nuclear factor of activated T cells 5 0.0086 0.0268 0.1712
Echinococcus granulosus intermediate filament protein 0.0031 0.0088 0.0559
Schistosoma mansoni hypothetical protein 0.0017 0.004 0.0253
Echinococcus granulosus netrin receptor unc 5 0.0017 0.004 0.0248
Echinococcus multilocularis lamin 0.0031 0.0088 0.0559
Schistosoma mansoni glutamate synthase 0.0005 0.0001 0.0006
Schistosoma mansoni DNA helicase recq5 0.001 0.0018 0.0116
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0034 0.0214
Mycobacterium tuberculosis Probable oxidoreductase 0.014 0.0446 0.0446
Loa Loa (eye worm) globin family protein 0.001 0.0017 0.0699
Loa Loa (eye worm) hypothetical protein 0.0015 0.0032 0.1385
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0005 0.0001 0.0043
Loa Loa (eye worm) RNA binding protein 0.0074 0.0228 1
Entamoeba histolytica recQ family DNA helicase 0.0005 0.0001 0.0241
Echinococcus multilocularis cpg binding protein 0.0035 0.0101 0.0643
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0126 0.04 0.0399
Schistosoma mansoni intermediate filament proteins 0.0031 0.0088 0.0564
Brugia malayi hypothetical protein 0.001 0.0017 0.0699
Mycobacterium tuberculosis Probable reductase 0.0126 0.04 0.0399
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0047 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0047 0.2803
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0018 0.011
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0086 0.0268 0.1712
Brugia malayi Uncoordinated protein 44 0.0017 0.004 0.17
Loa Loa (eye worm) globin family protein 0.001 0.0017 0.0699
Echinococcus multilocularis tar DNA binding protein 0.0074 0.0228 0.1458
Echinococcus granulosus cpg binding protein 0.0035 0.0101 0.0643
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0047 0.2803
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.004 0.0248
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0047 0.204
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.004 0.17
Echinococcus multilocularis geminin 0.0197 0.0637 0.408
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.127
Mycobacterium leprae Isocitrate lyase 0.1418 0.4679 0.4679
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.127
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.3025 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 1000 nM Antiproliferative activity against human HL60 cells ChEMBL. 17174089
IC50 (functional) > 1000 nM Antiproliferative activity against human HCT116 cells ChEMBL. 17174089
IC50 (ADMET) > 1000 nM Antiproliferative activity against human HMEC1 cells ChEMBL. 17174089
IC50 (functional) > 1000 nM Antiproliferative activity against human HL60 cells ChEMBL. 17174089
IC50 (functional) > 1000 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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