Detailed information for compound 1996225

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.513 | Formula: C23H24N2O4S
  • H donors: 2 H acceptors: 3 LogP: 4.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNC(=O)c1cnc(s1)Oc1ccc2c(c1)CCC(O2)c1c(C)cccc1C
  • InChi: 1S/C23H24N2O4S/c1-14-4-3-5-15(2)21(14)19-8-6-16-12-17(7-9-18(16)29-19)28-23-25-13-20(30-23)22(27)24-10-11-26/h3-5,7,9,12-13,19,26H,6,8,10-11H2,1-2H3,(H,24,27)
  • InChiKey: HIJSYEVKOQLSTA-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 8 (sodium/calcium exchanger), member 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Sodium/calcium exchanger 1 precursor, putative Get druggable targets OG5_128658 All targets in OG5_128658
Loa Loa (eye worm) solute carrier family 8 Get druggable targets OG5_128658 All targets in OG5_128658
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128658 All targets in OG5_128658
Echinococcus multilocularis sodium calcium exchanger Get druggable targets OG5_128658 All targets in OG5_128658
Schistosoma japonicum IPR003644,Na-Ca exchanger/integrin-beta4,domain-containing Get druggable targets OG5_128658 All targets in OG5_128658
Echinococcus granulosus sodium calcium exchanger Get druggable targets OG5_128658 All targets in OG5_128658
Schistosoma japonicum ko:K05849 solute carrier family 8 (sodium/calcium exchanger), putative Get druggable targets OG5_128658 All targets in OG5_128658
Schistosoma mansoni sodium/calcium exchanger Get druggable targets OG5_128658 All targets in OG5_128658
Brugia malayi Sodium/calcium exchanger protein Get druggable targets OG5_128658 All targets in OG5_128658

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 neural cadherin 0.0105 0.0616 0.0616
Loa Loa (eye worm) Notch2 0.0105 0.0616 0.0616
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.038 0.3215 0.2803
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0105 0.0616 0.0616
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.038 0.3215 0.2803
Brugia malayi Muscle positioning protein 4 0.0105 0.0616 0.0616
Loa Loa (eye worm) hypothetical protein 0.0072 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0072 0.03 0.03
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0101 0.0572 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.038 0.3215 0.3215
Schistosoma mansoni cell polarity protein 0.0105 0.0616 0.0616
Brugia malayi hypothetical protein 0.0195 0.1461 0.1461
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0101 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Brugia malayi Peroxidasin 0.0072 0.03 0.03
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.038 0.3215 0.2803
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Onchocerca volvulus 0.0195 0.1461 1
Onchocerca volvulus 0.0105 0.0616 0.272
Plasmodium falciparum thioredoxin reductase 0.038 0.3215 0.2803
Plasmodium falciparum glutathione reductase 0.1097 1 1
Schistosoma mansoni nephrin 0.0072 0.03 0.03
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.038 0.3215 0.2803
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Echinococcus granulosus hemicentin 1 0.0072 0.03 0.03
Schistosoma mansoni notch 0.0105 0.0616 0.0616
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0279 0.226 0.226
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0072 0.03 0.03
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.038 0.3215 1
Schistosoma mansoni hypothetical protein 0.0105 0.0616 0.0616
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0101 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0196 0.1474 0.1474
Loa Loa (eye worm) solute carrier family 8 0.0091 0.048 0.048
Echinococcus granulosus defective proboscis extension response 0.0124 0.0791 0.0791
Loa Loa (eye worm) programmed cell death 8 0.0101 0.0572 0.0572
Schistosoma mansoni septate junction protein 0.0072 0.03 0.03
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.038 0.3215 0.2803
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0101 0.0572 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0101 0.0572 0.0572
Trichomonas vaginalis mercuric reductase, putative 0.038 0.3215 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0791 0.0791
Echinococcus multilocularis neurogenic locus protein delta 0.0105 0.0616 0.0616
Schistosoma mansoni slit 0.0105 0.0616 0.0616
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0124 0.0791 0.0791
Echinococcus multilocularis fibropellin Ia 0.0105 0.0616 0.0616
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.038 0.3215 0.3215
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Leishmania major acetoin dehydrogenase e3 component-like protein 0.038 0.3215 0.2803
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.038 0.3215 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.038 0.3215 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.1461 0.1461
Echinococcus granulosus lachesin 0.0072 0.03 0.03
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0101 0.0572 0.0572
Schistosoma mansoni c4b-binding protein beta chain 0.0195 0.1461 0.1461
Schistosoma mansoni septate junction protein 0.0105 0.0616 0.0616
Onchocerca volvulus 0.0195 0.1461 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0072 0.03 0.03
Echinococcus granulosus glutamate synthase 0.0101 0.0572 0.0572
Schistosoma mansoni hypothetical protein 0.0105 0.0616 0.0616
Brugia malayi Calcium binding EGF domain containing protein 0.0105 0.0616 0.0616
Brugia malayi glutamate synthase 0.0101 0.0572 0.0572
Brugia malayi EGF-like domain containing protein 0.0105 0.0616 0.0616
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0072 0.03 0.03
Echinococcus multilocularis sodium calcium exchanger 0.0091 0.048 0.048
Brugia malayi EGF-like domain containing protein 0.0105 0.0616 0.0616
Loa Loa (eye worm) hypothetical protein 0.0072 0.03 0.03
Brugia malayi Cadherin domain containing protein 0.0105 0.0616 0.0616
Loa Loa (eye worm) hypothetical protein 0.0195 0.1461 0.1461
Echinococcus granulosus protein jagged 2 0.0105 0.0616 0.0616
Echinococcus multilocularis fat cadherin tumor suppressor 0.0105 0.0616 0.0616
Echinococcus granulosus delta-like protein 1 0.0105 0.0616 0.0616
Schistosoma mansoni sulfide quinone reductase 0.0101 0.0572 0.0572
Brugia malayi Thioredoxin reductase 0.1097 1 1
Brugia malayi Prion-like- 0.0072 0.03 0.03
Schistosoma mansoni nephrin 0.0156 0.1091 0.1091
Loa Loa (eye worm) hypothetical protein 0.0195 0.1461 0.1461
Echinococcus granulosus roundabout 2 0.0072 0.03 0.03
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.03 0.03
Echinococcus granulosus neurogenic locus notch protein 4 0.0105 0.0616 0.0616
Onchocerca volvulus 0.0105 0.0616 0.272
Onchocerca volvulus 0.0195 0.1461 1
Brugia malayi Fibronectin type III domain containing protein 0.0124 0.0791 0.0791
Echinococcus granulosus neurogenic locus notch protein 0.0105 0.0616 0.0616
Toxoplasma gondii rhoptry neck protein RON9 0.0195 0.1461 0.0943
Onchocerca volvulus 0.0195 0.1461 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.1174 0.1174
Echinococcus multilocularis peroxidasin 0.0072 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0195 0.1461 0.1461
Echinococcus granulosus slit 2 protein 0.0105 0.0616 0.0616
Schistosoma mansoni hypothetical protein 0.0105 0.0616 0.0616
Brugia malayi EGF-like domain containing protein 0.0105 0.0616 0.0616
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.03 0.03
Leishmania major trypanothione reductase 0.1097 1 1
Brugia malayi EGF-like domain containing protein 0.0105 0.0616 0.0616
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0164 0.1174 0.1174
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.038 0.3215 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.038 0.3215 0.2803
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0072 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0072 0.03 0.03
Toxoplasma gondii thioredoxin reductase 0.1097 1 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0105 0.0616 0.0616
Onchocerca volvulus Putative cubilin 0.0105 0.0616 0.272
Plasmodium falciparum thioredoxin reductase 0.1097 1 1
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0072 0.03 0.03
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Schistosoma mansoni sulfide quinone reductase 0.0101 0.0572 0.0572
Brugia malayi Sushi domain 0.0195 0.1461 0.1461
Echinococcus multilocularis roundabout 2 0.0072 0.03 0.03
Trypanosoma brucei trypanothione reductase 0.1097 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.038 0.3215 0.2803
Toxoplasma gondii EGF family domain-containing protein 0.0105 0.0616 0.0046
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0072 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0072 0.03 0.03
Schistosoma mansoni notch 0.0105 0.0616 0.0616
Echinococcus multilocularis roundabout 2 0.0196 0.1474 0.1474
Trypanosoma cruzi trypanothione reductase, putative 0.1097 1 1
Schistosoma mansoni hypothetical protein 0.0105 0.0616 0.0616
Echinococcus granulosus C type lectin domian containing protein 0.0195 0.1461 0.1461
Echinococcus multilocularis protein jagged 1 0.0105 0.0616 0.0616
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.038 0.3215 0.3215
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0072 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0195 0.1461 0.1461
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0105 0.0616 0.272
Toxoplasma gondii rhoptry neck protein RON1 0.0195 0.1461 0.0943
Schistosoma mansoni neuroglian 0.0072 0.03 0.03
Echinococcus multilocularis hemicentin 1 0.0072 0.03 0.03
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.038 0.3215 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0072 0.03 0.03
Echinococcus multilocularis neural cadherin 0.0105 0.0616 0.0616
Echinococcus granulosus protein jagged 1 0.0105 0.0616 0.0616
Echinococcus granulosus contactin 0.0072 0.03 0.03
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.03 0.03
Brugia malayi Cadherin domain containing protein 0.0105 0.0616 0.0616
Plasmodium vivax glutathione reductase, putative 0.1097 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0791 0.0791
Plasmodium falciparum apical sushi protein 0.0195 0.1461 0.0943
Schistosoma mansoni glutamate synthase 0.0101 0.0572 0.0572
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0101 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0196 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Echinococcus granulosus peroxidasin 0.0072 0.03 0.03
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.038 0.3215 0.2803
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0101 0.0572 0.5
Echinococcus multilocularis neurogenic locus notch protein 0.0105 0.0616 0.0616
Echinococcus granulosus neurogenic locus notch protein 0.0105 0.0616 0.0616
Echinococcus multilocularis glutamate synthase 0.0101 0.0572 0.0572
Toxoplasma gondii NADPH-glutathione reductase 0.038 0.3215 0.2803
Brugia malayi Delta serrate ligand family protein 0.0105 0.0616 0.0616
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0124 0.0791 0.0791
Echinococcus multilocularis slit 2 protein 0.0105 0.0616 0.0616
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0124 0.0791 0.0791
Schistosoma mansoni cell adhesion molecule 0.0072 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0072 0.03 0.03
Onchocerca volvulus 0.0195 0.1461 1
Schistosoma mansoni glutamate synthase 0.0101 0.0572 0.0572
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.038 0.3215 0.3215
Schistosoma mansoni hypothetical protein 0.0105 0.0616 0.0616
Onchocerca volvulus 0.0195 0.1461 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0791 0.0791
Trypanosoma cruzi trypanothione reductase, putative 0.038 0.3215 0.2803
Loa Loa (eye worm) hypothetical protein 0.0195 0.1461 0.1461
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Schistosoma mansoni hypothetical protein 0.0105 0.0616 0.0616
Echinococcus multilocularis protein jagged 1 0.0105 0.0616 0.0616
Brugia malayi GCC2 and GCC3 family protein 0.03 0.2459 0.2459
Brugia malayi Calcium binding EGF domain containing protein 0.0105 0.0616 0.0616
Schistosoma mansoni hypothetical protein 0.0105 0.0616 0.0616
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0279 0.226 0.226
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.03 0.03
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.038 0.3215 0.2803
Schistosoma mansoni notch 0.0105 0.0616 0.0616
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.038 0.3215 0.2803
Giardia lamblia High cysteine protein 0.0105 0.0616 0.0164
Loa Loa (eye worm) hypothetical protein 0.0217 0.1668 0.1668
Echinococcus multilocularis Immunoglobulin 0.0124 0.0791 0.0791
Echinococcus granulosus fibropellin Ia 0.0105 0.0616 0.0616
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.038 0.3215 1
Schistosoma mansoni titin 0.0072 0.03 0.03
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.1097 1 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0101 0.0572 0.0572
Brugia malayi EGF-like domain containing protein 0.0105 0.0616 0.0616
Echinococcus multilocularis neuroglian 0.0072 0.03 0.03
Giardia lamblia NADH oxidase lateral transfer candidate 0.038 0.3215 1
Brugia malayi hypothetical protein 0.0195 0.1461 0.1461
Loa Loa (eye worm) hypothetical protein 0.0072 0.03 0.03
Schistosoma mansoni tyrosine kinase 0.0072 0.03 0.03
Echinococcus granulosus Immunoglobulin 0.0124 0.0791 0.0791
Echinococcus multilocularis protein jagged 2 0.0105 0.0616 0.0616
Loa Loa (eye worm) thioredoxin reductase 0.1097 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.038 0.3215 0.2803
Onchocerca volvulus 0.0195 0.1461 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.038 0.3215 0.2803
Echinococcus multilocularis neurogenic locus notch protein 0.0105 0.0616 0.0616
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Treponema pallidum NADH oxidase 0.038 0.3215 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.03 0.03
Onchocerca volvulus 0.0195 0.1461 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.03 0.03
Loa Loa (eye worm) notch protein 0.0105 0.0616 0.0616
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0101 0.0572 0.0572
Onchocerca volvulus 0.0105 0.0616 0.272
Echinococcus multilocularis roundabout 2 0.0072 0.03 0.03
Onchocerca volvulus Neurogenic locus notch homolog 0.0105 0.0616 0.272
Entamoeba histolytica thioredoxin reductase, putative 0.0101 0.0572 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.0791 0.0791
Echinococcus granulosus protein jagged 2 0.0105 0.0616 0.0616
Echinococcus granulosus twitchin 0.0156 0.1091 0.1091
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Brugia malayi hypothetical protein 0.0195 0.1461 0.1461
Echinococcus multilocularis C type lectin domian containing protein 0.0195 0.1461 0.1461
Loa Loa (eye worm) hypothetical protein 0.0101 0.0572 0.0572
Onchocerca volvulus 0.0105 0.0616 0.272
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0072 0.03 0.03
Echinococcus multilocularis neuroglian 0.0156 0.1091 0.1091
Loa Loa (eye worm) hypothetical protein 0.0124 0.0791 0.0791
Echinococcus multilocularis neurogenic locus protein delta 0.0105 0.0616 0.0616
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.038 0.3215 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.038 0.3215 0.2803
Brugia malayi notch-like transmembrane receptor 0.0105 0.0616 0.0616
Echinococcus multilocularis thioredoxin glutathione reductase 0.1097 1 1
Plasmodium falciparum glutathione reductase 0.038 0.3215 0.2803
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0101 0.0572 0.5
Echinococcus multilocularis tyrosine protein kinase otk 0.0072 0.03 0.03
Echinococcus granulosus neuroglian 0.0072 0.03 0.03
Mycobacterium ulcerans flavoprotein disulfide reductase 0.038 0.3215 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.038 0.3215 0.2803
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.03 0.03
Echinococcus granulosus neuroglian 0.0156 0.1091 0.1091
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0101 0.0572 0.0572
Schistosoma mansoni cell adhesion molecule 0.0072 0.03 0.03
Brugia malayi Immunoglobulin I-set domain containing protein 0.0124 0.0791 0.0791
Schistosoma mansoni sodium/calcium exchanger 0.0091 0.048 0.048
Leishmania major dihydrolipoamide dehydrogenase, putative 0.038 0.3215 0.2803
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0101 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0195 0.1461 0.1461
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0105 0.0616 0.0616
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Schistosoma mansoni cell adhesion molecule 0.0164 0.1174 0.1174
Brugia malayi hypothetical protein 0.0124 0.0791 0.0791
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.038 0.3215 0.2803
Entamoeba histolytica disulphide oxidoreductase, putative 0.0101 0.0572 0.5
Schistosoma mansoni laminin gamma-3 chain 0.0105 0.0616 0.0616
Schistosoma mansoni cell adhesion molecule 0.0072 0.03 0.03
Schistosoma mansoni hypothetical protein 0.0101 0.0572 0.0572
Echinococcus multilocularis hemicentin 1 0.0072 0.03 0.03
Brugia malayi hypothetical protein 0.0195 0.1461 0.1461
Schistosoma mansoni disulfide oxidoreductase 0.0101 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Onchocerca volvulus 0.0105 0.0616 0.272
Loa Loa (eye worm) hypothetical protein 0.0124 0.0791 0.0791
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0101 0.0572 0.0572
Plasmodium vivax thioredoxin reductase, putative 0.1097 1 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Brugia malayi hypothetical protein 0.0195 0.1461 0.1461
Schistosoma mansoni notch 0.0105 0.0616 0.0616
Schistosoma mansoni vesicular amine transporter 0.0124 0.0791 0.0791
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0195 0.1461 0.1461
Echinococcus granulosus roundabout 2 0.0072 0.03 0.03
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0072 0.03 0.03
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0101 0.0572 0.0572
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0101 0.0572 0.0572
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0164 0.1174 0.1174
Echinococcus granulosus thioredoxin glutathione reductase 0.1097 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0164 0.1174 0.1174
Leishmania major dihydrolipoamide dehydrogenase, putative 0.038 0.3215 0.2803
Brugia malayi EGF-like domain containing protein 0.0105 0.0616 0.0616
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0072 0.03 0.03
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.038 0.3215 0.2803
Brugia malayi hypothetical protein 0.0195 0.1461 0.1461
Echinococcus granulosus sodium calcium exchanger 0.0091 0.048 0.048
Echinococcus granulosus notch 0.0105 0.0616 0.0616
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.03 0.03
Schistosoma mansoni notch 0.0105 0.0616 0.0616
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0072 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Echinococcus granulosus roundabout 2 0.0196 0.1474 0.1474
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.03 0.03
Echinococcus multilocularis Immunoglobulin 0.0124 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.03 0.2459 0.2459
Onchocerca volvulus Slit protein homolog 0.0105 0.0616 0.272
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.038 0.3215 0.2803
Echinococcus granulosus tyrosine protein kinase otk 0.0072 0.03 0.03
Schistosoma mansoni roundabout 0.0072 0.03 0.03
Echinococcus multilocularis c4b binding protein beta chain 0.0195 0.1461 0.1461
Schistosoma mansoni glutamate synthase 0.0101 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Loa Loa (eye worm) glutathione reductase 0.1097 1 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Brugia malayi Calcium binding EGF domain containing protein 0.0105 0.0616 0.0616
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.038 0.3215 0.2803
Echinococcus multilocularis notch 0.0105 0.0616 0.0616
Brugia malayi pregnancy-associated plasma protein-A 0.0195 0.1461 0.1461
Onchocerca volvulus 0.0195 0.1461 1
Schistosoma mansoni septate junction protein 0.0072 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Echinococcus granulosus c4b binding protein beta chain 0.0195 0.1461 0.1461
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.038 0.3215 0.2803
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0101 0.0572 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0616 0.0616
Onchocerca volvulus 0.0195 0.1461 1
Brugia malayi EGF-like domain containing protein 0.0105 0.0616 0.0616
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0101 0.0572 0.0572
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0101 0.0572 0.0572
Brugia malayi hypothetical protein 0.0195 0.1461 0.1461
Schistosoma mansoni notch 0.0105 0.0616 0.0616
Echinococcus granulosus protein jagged 1 0.0105 0.0616 0.0616
Echinococcus multilocularis lachesin 0.0072 0.03 0.03
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.038 0.3215 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.038 0.3215 0.2803
Onchocerca volvulus 0.0101 0.0572 0.2346
Plasmodium vivax apical sushi protein, putative 0.0195 0.1461 0.0943
Trichomonas vaginalis glutathione reductase, putative 0.038 0.3215 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0101 0.0572 0.0572
Echinococcus granulosus neurogenic locus protein delta 0.0105 0.0616 0.0616
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0101 0.0572 0.0572

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7600 nM BindingDB_Patents: Reverse Mode Assay. The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loaded with the dye by means of the acetoxymethyl ester Fluo-4 AM (Invitrogen, F14202), which is cleaved intracellularly by esterase activity to yield the charged species of free Fluo-4. After an preincubation period with the test compound, Gramicidine (Sigma, G5002) was added. Gramicidine is an ionophor for Na+ions mediating an increase of intracellular Na+ions. Consequently, intracellular Na+ions are exchanged against extracellular Ca2+ions (Ca2+influx, reverse mode). The intracellular elevation of Ca2+ ions was detected by measuring the fluorescence of Fluo-4 at a wavelength of 520 nm by a FLIPR device.Briefly, for the reverse mode transport assay 18000 cells per well were seeded into a 96 well microplate (Corning COSTAR 3904) and incubated overnight in culture medium (1x Nut Mix F12 (Ham) (Gibco, 21765-029); 10% (v/v) fetal calf serum. ChEMBL. No reference

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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