Detailed information for compound 217281

Basic information

Technical information
  • TDR Targets ID: 217281
  • Name: 123794-30-9
  • MW: 363.433 | Formula: C20H17N3O2S
  • H donors: 1 H acceptors: 4 LogP: 2.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSC1=C(CCNC(=O)C)c2nc3ccccc3c3c2c(C1=O)ncc3
  • InChi: 1S/C20H17N3O2S/c1-11(24)21-9-8-14-17-16-13(12-5-3-4-6-15(12)23-17)7-10-22-18(16)19(25)20(14)26-2/h3-7,10H,8-9H2,1-2H3,(H,21,24)
  • InChiKey: VAGAHQGPIKRLLK-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
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.0423 0.0417
Loa Loa (eye worm) blistered cuticle protein 3 0.2609 1 1
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.009 0.0084
Echinococcus multilocularis notch 0.0534 0.1988 0.1983
Schistosoma mansoni carbonic anhydrase 0.0537 0.2001 0.1996
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1111 0.4217 1
Echinococcus multilocularis peroxidasin 0.2609 1 1
Onchocerca volvulus Peroxidase homolog 0.2609 1 1
Mycobacterium ulcerans epoxide hydrolase EphA 0.0166 0.057 0.1009
Brugia malayi nuclear receptor NHR-88 0.0028 0.0038 0.0038
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.009 0.0084
Loa Loa (eye worm) calcium channel 0.0041 0.0087 0.0081
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Schistosoma mansoni carbonic anhydrase-related 0.0537 0.2001 0.1996
Trichomonas vaginalis conserved hypothetical protein 0.144 0.5489 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.0038 0.0032
Onchocerca volvulus Bile acid receptor homolog 0.0028 0.0038 0.0032
Loa Loa (eye worm) Notch2 0.0534 0.1988 0.1983
Brugia malayi GCC2 and GCC3 family protein 0.0534 0.1988 0.1988
Schistosoma mansoni sodium-dependent amino acid transporter 0.0042 0.009 0.0084
Schistosoma mansoni peroxidasin 0.2609 1 1
Loa Loa (eye worm) hypothetical protein 0.0537 0.2001 0.1996
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0042 0.009 0.0084
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0033 0.0057 0.0091
Loa Loa (eye worm) serotonin transporter b 0.0246 0.0878 0.0872
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0042 0.009 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.0038 0.0032
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.0038 0.0032
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.0423 0.0417
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0131 0.0436 0.0994
Echinococcus multilocularis mitogen activated protein kinase 14 0.0131 0.0436 0.043
Loa Loa (eye worm) hypothetical protein 0.0036 0.0068 0.0062
Echinococcus granulosus peroxidasin 0.2609 1 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0131 0.0436 0.0994
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0087 0.0163
Echinococcus multilocularis protein jagged 1 0.0534 0.1988 0.1983
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0352 0.1287 0.1282
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1111 0.4217 0.4214
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Brugia malayi EGF-like domain containing protein 0.0534 0.1988 0.1988
Echinococcus granulosus sodium and chloride dependent glycine 0.0042 0.009 0.0084
Echinococcus multilocularis carbonic anhydrase 0.0537 0.2001 0.1996
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0131 0.0436 0.043
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0033 0.0057 0.007
Loa Loa (eye worm) hypothetical protein 0.0036 0.0068 0.0062
Onchocerca volvulus Neurogenic locus notch homolog 0.0534 0.1989 0.1984
Echinococcus granulosus mitogen activated protein kinase 14 0.0131 0.0436 0.043
Onchocerca volvulus Peroxidasin homolog 0.2609 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0028 0.0038 0.0032
Plasmodium falciparum carbonic anhydrase 0.0537 0.2001 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.0038 0.0032
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.009 0.0172
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0041 0.0087 0.0081
Onchocerca volvulus 0.0046 0.0106 0.0099
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0042 0.009 0.009
Echinococcus multilocularis serotonin transporter 0.0246 0.0878 0.0872
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Brugia malayi follicle stimulating hormone receptor 0.0245 0.0875 0.0875
Echinococcus granulosus protein jagged 1 0.0534 0.1988 0.1983
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0038 0.0032
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0028 0.0038 0.0032
Loa Loa (eye worm) cytochrome oxidase subunit 2 0.0027 0.0035 0.0029
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0691 0.2596 0.6855
Schistosoma mansoni RAR-like nuclear receptor 0.0028 0.0038 0.0032
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0041 0.0087 0.0163
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.024 0.0855 0.2097
Onchocerca volvulus 0.0069 0.0194 0.0188
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0042 0.009 0.0084
Brugia malayi Animal haem peroxidase family protein 0.2609 1 1
Brugia malayi EGF-like domain containing protein 0.0534 0.1988 0.1988
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0534 0.1988 0.1988
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.012 0.0392 0.0386
Onchocerca volvulus Putative sulfate transporter 0.0208 0.0731 0.0725
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0041 0.0087 0.0081
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0352 0.1287 0.1282
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0032
Onchocerca volvulus 0.0208 0.0731 0.0725
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0042 0.009 1
Schistosoma mansoni slit 0.0534 0.1988 0.1983
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0033 0.0057 0.0091
Mycobacterium ulcerans hypothetical protein 0.0041 0.0087 0.0125
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0028 0.0038 0.0032
Echinococcus granulosus cytochrome c oxidase subunit II 0.0151 0.0513 0.0507
Echinococcus granulosus fibropellin Ia 0.0534 0.1988 0.1983
Schistosoma mansoni cell polarity protein 0.0534 0.1988 0.1983
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Onchocerca volvulus 0.0534 0.1988 0.1983
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0028 0.0038 0.0032
Echinococcus granulosus neurogenic locus notch protein 0.0534 0.1988 0.1983
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Onchocerca volvulus 0.0042 0.009 0.0084
Schistosoma mansoni retinoic acid receptor RXR 0.0028 0.0038 0.0032
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0352 0.1287 0.1282
Echinococcus granulosus geminin 0.0172 0.0594 0.0588
Brugia malayi Calcium binding EGF domain containing protein 0.0534 0.1988 0.1988
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0033 0.0057 0.0252
Loa Loa (eye worm) hypothetical protein 0.0246 0.0878 0.0872
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0028 0.0038 0.0032
Echinococcus granulosus delta-like protein 1 0.0534 0.1988 0.1983
Echinococcus multilocularis mitogen activated protein kinase 11 0.0131 0.0436 0.043
Loa Loa (eye worm) animal heme peroxidase 0.2609 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0042 0.009 0.0084
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0537 0.2001 0.2001
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Schistosoma mansoni peroxidasin 0.2609 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1111 0.4217 0.4217
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0019 0.0012
Schistosoma mansoni laminin gamma-3 chain 0.0534 0.1988 0.1983
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0245 0.0875 0.087
Brugia malayi EGF-like domain containing protein 0.0534 0.1988 0.1988
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0041 0.0087 0.0081
Brugia malayi Animal haem peroxidase family protein 0.2609 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.009 0.0084
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0032
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0072 0.0205 0.0322
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0166 0.057 0.132
Loa Loa (eye worm) hypothetical protein 0.0041 0.0087 0.0081
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0042 0.009 0.0084
Brugia malayi Cytochrome P450 family protein 0.0023 0.0019 0.0019
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0041 0.0087 0.0081
Echinococcus multilocularis ecdysone induced protein 78C 0.0028 0.0038 0.0032
Loa Loa (eye worm) hypothetical protein 0.0041 0.0087 0.0081
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0041 0.0087 0.0081
Schistosoma mansoni lipoxygenase 0.012 0.0392 0.0386
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0041 0.0087 0.0087
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0042 0.009 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0028 0.0038 0.0038
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.009 0.0084
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0028 0.0038 0.0032
Echinococcus multilocularis protein jagged 2 0.0534 0.1988 0.1983
Brugia malayi Doublecortin family protein 0.002 0.0006 0.0006
Entamoeba histolytica ankyrin, putative 0.0072 0.0205 0.0255
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.0038 0.0032
Echinococcus multilocularis carbonic anhydrase 0.0537 0.2001 0.1996
Schistosoma mansoni notch 0.0534 0.1988 0.1983
Echinococcus granulosus protein jagged 2 0.0534 0.1988 0.1983
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0072 0.0205 0.2761
Schistosoma mansoni hypothetical protein 0.0534 0.1988 0.1983
Trichomonas vaginalis AGC family protein kinase 0.0352 0.1287 0.2064
Brugia malayi Blistered cuticle protein 3 0.2609 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0028 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.0084
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Echinococcus granulosus notch 0.0534 0.1988 0.1983
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Brugia malayi Calcium binding EGF domain containing protein 0.0534 0.1988 0.1988
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.009 0.0084
Brugia malayi nuclear hormone receptor 0.0028 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.0084
Schistosoma mansoni sodium/chloride dependent transporter 0.0046 0.0105 0.0098
Toxoplasma gondii hypothetical protein 0.0537 0.2001 1
Schistosoma mansoni carbonic anhydrase-related 0.0537 0.2001 0.1996
Toxoplasma gondii hypothetical protein 0.0036 0.0068 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0038 0.0038
Onchocerca volvulus 0.2609 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0041 0.0087 0.0081
Echinococcus granulosus neurogenic locus protein delta 0.0534 0.1988 0.1983
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0028 0.0038 0.0032
Schistosoma mansoni notch 0.0534 0.1988 0.1983
Brugia malayi steroid hormone receptor 0.0028 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Echinococcus multilocularis voltage dependent calcium channel 0.0041 0.0087 0.0081
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0072 0.0205 0.2761
Mycobacterium tuberculosis Probable transmembrane cytochrome C oxidase (subunit II) CtaC 0.0046 0.0106 0.005
Leishmania major hypothetical protein, conserved 0.0041 0.0087 0.0146
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0032
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0032
Giardia lamblia High cysteine protein 0.0534 0.1988 0.5
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0106 0.0337 1
Onchocerca volvulus Peroxidasin homolog 0.2609 1 1
Entamoeba histolytica carbonic anhydrase, putative 0.1241 0.4717 1
Onchocerca volvulus 0.0042 0.009 0.0084
Loa Loa (eye worm) norepinephrine transporter 0.0246 0.0878 0.0872
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0246 0.0878 0.0872
Echinococcus granulosus mitogen activated protein kinase 11 0.0131 0.0436 0.043
Toxoplasma gondii cytochrome C oxidase subunit IIb, putative 0.0046 0.0106 0.0252
Schistosoma mansoni sodium/chloride dependent transporter 0.0246 0.0878 0.0872
Echinococcus multilocularis neurogenic locus protein delta 0.0534 0.1988 0.1983
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0019 0.0012
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Brugia malayi Delta serrate ligand family protein 0.0534 0.1988 0.1988
Leishmania major carbonic anhydrase family protein, putative 0.1241 0.4717 1
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0041 0.0087 0.0163
Loa Loa (eye worm) hypothetical protein 0.0246 0.0878 0.0872
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0789 0.2976 0.7893
Echinococcus granulosus serotonin transporter 0.0246 0.0878 0.0872
Trypanosoma brucei carbonic anhydrase-like protein 0.1111 0.4217 1
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Onchocerca volvulus 0.0028 0.0038 0.0032
Loa Loa (eye worm) hypothetical protein 0.0537 0.2001 0.1996
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0246 0.0878 0.0878
Onchocerca volvulus Slit protein homolog 0.0534 0.1988 0.1983
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0028 0.0038 0.0032
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.0084
Brugia malayi P38 map kinase family protein 2 0.0131 0.0436 0.0436
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Loa Loa (eye worm) animal heme peroxidase 0.2609 1 1
Onchocerca volvulus 0.2609 1 1
Schistosoma mansoni notch 0.0534 0.1989 0.1984
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0046 0.0106 0.0099
Echinococcus multilocularis protein jagged 1 0.0534 0.1988 0.1983
Plasmodium falciparum amino acid transporter, putative 0.0042 0.009 0.042
Brugia malayi Protein kinase domain containing protein 0.0352 0.1287 0.1287
Echinococcus multilocularis mitogen activated protein kinase 14 0.0131 0.0436 0.043
Schistosoma mansoni carbonic anhydrase-related 0.0537 0.2001 0.1996
Toxoplasma gondii transporter, cation channel family protein 0.0041 0.0087 0.0156
Brugia malayi ecdysteroid receptor 0.0028 0.0038 0.0038
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0028 0.0038 0.0032
Loa Loa (eye worm) carbonic anhydrase 3 0.1111 0.4217 0.4214
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0087 0.0163
Leishmania major carbonic anhydrase-like protein 0.1111 0.4217 0.8936
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Entamoeba histolytica protein kinase, putative 0.0352 0.1287 0.2592
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0038 0.0032
Schistosoma mansoni hypothetical protein 0.0172 0.0594 0.0588
Brugia malayi phosphoinositide-dependent protein kinase I 0.0352 0.1287 0.1287
Brugia malayi Cadherin domain containing protein 0.0534 0.1988 0.1988
Entamoeba histolytica acetyltransferase, putative 0.0072 0.0205 0.0254
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0046 0.0106 0.0099
Onchocerca volvulus 0.0534 0.1988 0.1983
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.0038 0.0032
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.0084
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0042 0.009 0.0084
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0038 0.0032
Brugia malayi notch-like transmembrane receptor 0.0534 0.1988 0.1988
Onchocerca volvulus 0.0534 0.1988 0.1983
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0537 0.2001 0.2001
Trichomonas vaginalis conserved hypothetical protein 0.144 0.5489 1
Schistosoma mansoni serine/threonine protein kinase 0.0352 0.1287 0.1282
Schistosoma mansoni cytochrome c oxidase subunit II 0.0124 0.0407 0.0401
Schistosoma mansoni cytochrome-c oxidase 0.0046 0.0106 0.0099
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0028 0.0038 0.0038
Mycobacterium leprae Probable transmembrane transport protein 0.024 0.0855 0.1751
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0028 0.0038 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0038 0.0038
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0042 0.009 0.0084
Echinococcus granulosus protein jagged 1 0.0534 0.1988 0.1983
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0041 0.0087 0.0081
Onchocerca volvulus Protein ultraspiracle homolog 0.0028 0.0038 0.0032
Schistosoma mansoni notch 0.0534 0.1988 0.1983
Mycobacterium ulcerans carbonic anhydrase 0.1241 0.4717 0.859
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.0084
Onchocerca volvulus 0.0534 0.1988 0.1983
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0038 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0028 0.0038 0.0038
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0033 0.0057 0.0091
Treponema pallidum sodium- and chloride- dependent transporter 0.0246 0.0878 0.5
Brugia malayi Animal haem peroxidase family protein 0.2609 1 1
Echinococcus granulosus carbonic anhydrase 0.0537 0.2001 0.1996
Echinococcus granulosus neural cadherin 0.0534 0.1988 0.1983
Schistosoma mansoni hypothetical protein 0.0534 0.1988 0.1983
Brugia malayi photoreceptor-specific nuclear receptor 0.0028 0.0038 0.0038
Onchocerca volvulus Peroxidase homolog 0.2609 1 1
Onchocerca volvulus 0.0042 0.009 0.0084
Echinococcus multilocularis fibropellin Ia 0.0534 0.1988 0.1983
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0028 0.0038 0.0038
Schistosoma mansoni lipoxygenase 0.0084 0.0253 0.0246
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0028 0.0038 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0028 0.0038 0.0038
Echinococcus multilocularis thyroid hormone receptor alpha 0.0156 0.0532 0.0526
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0989 0.3747 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1111 0.4217 0.4217
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0028 0.0038 0.0032
Echinococcus granulosus neurogenic locus notch protein 4 0.0534 0.1988 0.1983
Echinococcus granulosus voltage dependent calcium channel 0.0041 0.0087 0.0081
Schistosoma mansoni steroid hormone receptor ad4bp 0.0028 0.0038 0.0032
Schistosoma mansoni notch 0.0534 0.1988 0.1983
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Brugia malayi EGF-like domain containing protein 0.0534 0.1988 0.1988
Schistosoma mansoni hypothetical protein 0.0534 0.1988 0.1983
Schistosoma mansoni hypothetical protein 0.0534 0.1988 0.1983
Echinococcus granulosus FTZ F1 alpha 0.0028 0.0038 0.0032
Echinococcus multilocularis slit 2 protein 0.0534 0.1988 0.1983
Loa Loa (eye worm) solute carrier family 6 member 4 0.0246 0.0878 0.0872
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0537 0.2001 0.2001
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0042 0.009 0.0084
Echinococcus granulosus nuclear factor of activated T cells 5 0.0075 0.0218 0.0212
Mycobacterium ulcerans transmembrane cytochrome C oxidase (subunit II) CtaC 0.0046 0.0106 0.0159
Loa Loa (eye worm) animal heme peroxidase 0.2609 1 1
Brugia malayi Animal haem peroxidase family protein 0.2609 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.0084
Echinococcus multilocularis voltage dependent calcium channel 0.0041 0.0087 0.0081
Schistosoma mansoni hypothetical protein 0.0128 0.0423 0.0417
Schistosoma mansoni thyroid hormone receptor 0.0156 0.0532 0.0526
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0537 0.2001 0.2001
Mycobacterium ulcerans carbonic anhydrase 0.144 0.5489 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0028 0.0038 0.0032
Schistosoma mansoni voltage-gated cation channel 0.0041 0.0087 0.0081
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.0084
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1111 0.4217 0.4214
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0032
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1111 0.4217 0.4214
Toxoplasma gondii hypothetical protein 0.0042 0.009 0.0172
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.009 0.0084
Echinococcus granulosus protein jagged 2 0.0534 0.1988 0.1983
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0046 0.0106 0.0099
Echinococcus granulosus carbonic anhydrase II 0.1111 0.4217 0.4214
Echinococcus multilocularis mitogen activated protein kinase 11 0.0131 0.0436 0.043
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.009 0.009
Onchocerca volvulus 0.2609 1 1
Schistosoma mansoni hypothetical protein 0.0537 0.2001 0.1996
Brugia malayi Cadherin domain containing protein 0.0534 0.1988 0.1988
Echinococcus granulosus voltage dependent calcium channel 0.0041 0.0087 0.0081
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0032
Schistosoma mansoni hypothetical protein 0.0534 0.1988 0.1983
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0352 0.1287 0.1282
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Echinococcus multilocularis neurogenic locus protein delta 0.0534 0.1988 0.1983
Loa Loa (eye worm) hypothetical protein 0.0246 0.0878 0.0872
Echinococcus multilocularis carbonic anhydrase II 0.1111 0.4217 0.4214
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0075 0.0218 0.0212
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.009 0.009
Plasmodium falciparum cytochrome c oxidase subunit 2, putative 0.0046 0.0106 0.0498
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0038 0.0032
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0019 0.0012
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0032
Echinococcus multilocularis neurogenic locus notch protein 4 0.0534 0.1988 0.1983
Brugia malayi Cytochrome P450 family protein 0.0023 0.0019 0.0019
Onchocerca volvulus 0.0534 0.1988 0.1983
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0114 0.0368 0.0362
Echinococcus granulosus microsomal glutathione S transferase 3 0.0114 0.0368 0.0362
Toxoplasma gondii hypothetical protein 0.0042 0.009 0.0172
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Mycobacterium ulcerans integral membrane transporter 0.0033 0.0057 0.007
Onchocerca volvulus 0.0246 0.0878 0.0872
Echinococcus multilocularis neurogenic locus notch protein 0.0534 0.1988 0.1983
Schistosoma mansoni hypothetical protein 0.0172 0.0594 0.0588
Brugia malayi Muscle positioning protein 4 0.0534 0.1988 0.1988
Brugia malayi EGF-like domain containing protein 0.0534 0.1988 0.1988
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.009 0.0084
Plasmodium falciparum transporter, putative 0.0042 0.009 0.042
Brugia malayi Cytochrome P450 family protein 0.0053 0.0133 0.0133
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.0133 0.0126
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Schistosoma mansoni carbonic anhydrase 0.1241 0.4717 0.4714
Mycobacterium leprae PROBABLE TRANSFERASE 0.0069 0.0194 0.0341
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Brugia malayi hypothetical protein 0.002 0.0006 0.0006
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0041 0.0087 0.0081
Schistosoma mansoni septate junction protein 0.0534 0.1988 0.1983
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0534 0.1988 0.1983
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.0038 0.0032
Brugia malayi Peroxidasin 0.2609 1 1
Echinococcus granulosus slit 2 protein 0.0534 0.1988 0.1983
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0131 0.0436 0.0888
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1111 0.4217 1
Mycobacterium ulcerans transferase 0.0069 0.0194 0.0321
Schistosoma mansoni coup transcription factor 0.0028 0.0038 0.0032
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0087 0.0163
Onchocerca volvulus Chorion peroxidase homolog 0.2609 1 1
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0033 0.0057 0.007
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0131 0.0436 0.0994
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0038 0.0038
Echinococcus multilocularis carbonic anhydrase 0.0537 0.2001 0.1996
Brugia malayi EGF-like domain containing protein 0.0534 0.1988 0.1988
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.0038 0.0032
Schistosoma mansoni hypothetical protein 0.0534 0.1988 0.1983
Plasmodium vivax sulfate transporter, putative 0.0033 0.0057 0.1523
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0534 0.1988 0.1983
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.009 0.0172
Brugia malayi EGF-like domain containing protein 0.0534 0.1988 0.1988
Trichomonas vaginalis AGC family protein kinase 0.0352 0.1287 0.2064
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0038 0.0038
Loa Loa (eye worm) animal heme peroxidase 0.2609 1 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1241 0.4717 1
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0038 0.0038
Brugia malayi Calcium binding EGF domain containing protein 0.0534 0.1988 0.1988
Onchocerca volvulus Putative cubilin 0.0534 0.1988 0.1983
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.0151 0.0513 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0537 0.2001 0.1996
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0028 0.0038 0.0032
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0028 0.0038 0.0032
Plasmodium vivax cytochrome c oxidase subunit 2, putative 0.0046 0.0106 0.3006
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.009 0.0172
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0032
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0028 0.0038 0.0032
Brugia malayi hypothetical protein 0.002 0.0006 0.0006
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0537 0.2001 0.2001
Toxoplasma gondii MAPEG family protein 0.0114 0.0368 0.1602
Loa Loa (eye worm) voltage-dependent calcium channel 0.0041 0.0087 0.0081
Echinococcus multilocularis neural cadherin 0.0534 0.1988 0.1983
Schistosoma mansoni notch 0.0534 0.1988 0.1983
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0038 0.0032
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.009 0.0084
Echinococcus multilocularis geminin 0.0172 0.0594 0.0588
Loa Loa (eye worm) hypothetical protein 0.1138 0.4323 0.4319
Loa Loa (eye worm) hypothetical protein 0.2609 1 1
Echinococcus granulosus dynactin 5 p25 0.0072 0.0205 0.0199
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0497 0.1846 0.184
Plasmodium vivax hypothetical protein, conserved 0.0042 0.009 0.2534
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0038 0.0038
Echinococcus granulosus carbonic anhydrase 0.0537 0.2001 0.1996
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0046 0.0106 0.0099
Brugia malayi Steroid receptor seven-up type 2 0.0028 0.0038 0.0038
Echinococcus granulosus carbonic anhydrase 0.0537 0.2001 0.1996
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.009 0.0084
Brugia malayi Animal haem peroxidase family protein 0.2609 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0028 0.0038 0.0032
Echinococcus granulosus ecdysone induced protein 78C 0.0028 0.0038 0.0032
Plasmodium vivax amine transporter, putative 0.0042 0.009 0.2534
Echinococcus granulosus arachidonate 5 lipoxygenase 0.012 0.0392 0.0386
Schistosoma mansoni microsomal glutathione s-transferase 0.0114 0.0368 0.0362
Brugia malayi hypothetical protein 0.0042 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0534 0.1988 0.1983
Schistosoma mansoni thyroid hormone receptor 0.0156 0.0532 0.0526
Schistosoma mansoni hypothetical protein 0.0534 0.1988 0.1983
Echinococcus multilocularis fat cadherin tumor suppressor 0.0534 0.1988 0.1983
Echinococcus multilocularis neurogenic locus notch protein 0.0534 0.1988 0.1983
Echinococcus granulosus sodium and chloride dependent glycine 0.0042 0.009 0.0084
Loa Loa (eye worm) notch protein 0.0534 0.1988 0.1983
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0041 0.0087 0.0081
Toxoplasma gondii EGF family domain-containing protein 0.0534 0.1988 0.9933
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.009 0.0084
Schistosoma mansoni sodium/chloride dependent transporter 0.0042 0.009 0.0084
Onchocerca volvulus Dual oxidase homolog 0.2609 1 1
Echinococcus granulosus neurogenic locus notch protein 0.0534 0.1988 0.1983
Trichomonas vaginalis AGC family protein kinase 0.0352 0.1287 0.2064

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) < 1.4 uM Tested for the cytotoxicity to inhibit replication assay against the human colon tumor cell line HCT116 ChEMBL. 7525959
IC50 (functional) < 1.4 uM Tested for the cytotoxicity to inhibit replication assay against the human colon tumor cell line HCT116 ChEMBL. 7525959
IC50 (functional) = 71.2 uM Tested for the cytotoxicity against the repair deficient xrs-6 chinese hamster ovary cell line ChEMBL. 7525959
IC90 (functional) = 9.2 uM Effect of dose dependent inhibition of TOPO II-catalyzed kDNA decatenation in vitro ChEMBL. 7525959
IC90 (functional) = 9.2 uM Effect of dose dependent inhibition of TOPO II-catalyzed kDNA decatenation in vitro ChEMBL. 7525959
K (functional) = 21 uM Concentration of the compound required to reduce ethidium bromide fluorescence to 50% of control in presence of calf thymus DNA ChEMBL. 7525959
MIC (functional) = 17 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ChEMBL. 22280816
Ratio (functional) = 1 Differential cytotoxicity was determined from the ratio between BR1(IC50) and xrs-6 (IC50) ChEMBL. 7525959

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 7525959

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

1 literature reference was collected for this gene.

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