Detailed information for compound 1996922

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 415.441 | Formula: C24H21N3O4
  • H donors: 2 H acceptors: 5 LogP: 3.21 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(nc1c1ccc(cc1)C#N)C(=O)N[C@H](c1ccc(cc1)C)CC(=O)O
  • InChi: 1S/C24H21N3O4/c1-15-3-7-17(8-4-15)20(13-22(28)29)27-24(30)19-11-12-21(31-2)23(26-19)18-9-5-16(14-25)6-10-18/h3-12,20H,13H2,1-2H3,(H,27,30)(H,28,29)/t20-/m0/s1
  • InChiKey: AKFXLDDSGNGHFM-FQEVSTJZSA-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 cathepsin A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 Get druggable targets OG5_126663 All targets in OG5_126663
Echinococcus granulosus lysosomal protective protein Get druggable targets OG5_126663 All targets in OG5_126663
Brugia malayi Serine carboxypeptidase F41C3.5 precursor Get druggable targets OG5_126663 All targets in OG5_126663
Candida albicans one of three Carboxypeptidase Y-like genes Get druggable targets OG5_126663 All targets in OG5_126663
Candida albicans hypothetical protein Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma brucei serine peptidase, Clan SC, Family S10 Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma brucei gambiense serine carboxypeptidase III precursor, putative,serine peptidase, Clan SC, Family S10 Get druggable targets OG5_126663 All targets in OG5_126663
Schistosoma japonicum ko:K01287 carboxypeptidase C [EC3.4.16.5], putative Get druggable targets OG5_126663 All targets in OG5_126663
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma brucei gambiense serine carboxypeptidase III precursor, putative Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma brucei serine peptidase, Clan SC, Family S10 Get druggable targets OG5_126663 All targets in OG5_126663
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126663 All targets in OG5_126663
Echinococcus granulosus family S10 non peptidase ue S10 family Get druggable targets OG5_126663 All targets in OG5_126663
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog Get druggable targets OG5_126663 All targets in OG5_126663
Schistosoma japonicum expressed protein Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative Get druggable targets OG5_126663 All targets in OG5_126663
Leishmania mexicana serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 Get druggable targets OG5_126663 All targets in OG5_126663
Candida albicans one of three Carboxypeptidase Y-like genes Get druggable targets OG5_126663 All targets in OG5_126663
Candida albicans one of three Carboxypeptidase Y-like genes Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma brucei gambiense serine carboxypeptidase III precursor, putative Get druggable targets OG5_126663 All targets in OG5_126663
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma congolense serine peptidase, Clan SC, Family S10 Get druggable targets OG5_126663 All targets in OG5_126663
Candida albicans one of three Carboxypeptidase Y-like genes Get druggable targets OG5_126663 All targets in OG5_126663
Candida albicans one of three Carboxypeptidase Y-like genes Get druggable targets OG5_126663 All targets in OG5_126663
Leishmania donovani serine carboxypeptidase (CBP1), putative Get druggable targets OG5_126663 All targets in OG5_126663
Echinococcus multilocularis lysosomal protective protein Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma brucei serine peptidase, Clan SC, Family S10 Get druggable targets OG5_126663 All targets in OG5_126663
Schistosoma japonicum Lysosomal protective protein precursor, putative Get druggable targets OG5_126663 All targets in OG5_126663
Echinococcus multilocularis family S10 non peptidase ue (S10 family) Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative Get druggable targets OG5_126663 All targets in OG5_126663
Leishmania infantum serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 Get druggable targets OG5_126663 All targets in OG5_126663
Trypanosoma brucei gambiense serine carboxypeptidase III precursor, putative Get druggable targets OG5_126663 All targets in OG5_126663
Schistosoma mansoni family S10 unassigned peptidase (S10 family) Get druggable targets OG5_126663 All targets in OG5_126663

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
Brugia malayi Muscle positioning protein 4 0.0126 0.0054 0.0054
Echinococcus granulosus neurogenic locus notch protein 0.0126 0.0054 0.0054
Leishmania major acetoin dehydrogenase e3 component-like protein 0.045 0.2803 0.2803
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.045 0.2803 0.2803
Echinococcus multilocularis Immunoglobulin 0.0164 0.0377 0.0377
Echinococcus multilocularis roundabout 2 0.0259 0.1185 0.1185
Onchocerca volvulus 0.0232 0.0958 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.045 0.2803 0.2803
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.1299 1 1
Echinococcus multilocularis protein jagged 2 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0164 0.0377 0.0377
Brugia malayi pregnancy-associated plasma protein-A 0.0232 0.0958 0.0958
Loa Loa (eye worm) Notch2 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0164 0.0377 0.0377
Loa Loa (eye worm) hypothetical protein 0.0232 0.0958 0.0958
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.045 0.2803 0.2803
Plasmodium falciparum glutathione reductase 0.045 0.2803 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.045 0.2803 1
Brugia malayi Cadherin domain containing protein 0.0126 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Trichomonas vaginalis mercuric reductase, putative 0.045 0.2803 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0119 0 0.5
Schistosoma mansoni hypothetical protein 0.0126 0.0054 0.0054
Schistosoma mansoni vesicular amine transporter 0.0164 0.0377 0.0377
Brugia malayi Sushi domain 0.0232 0.0958 0.0958
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Brugia malayi EGF-like domain containing protein 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0164 0.0377 0.0377
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.045 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.045 0.2803 1
Loa Loa (eye worm) hypothetical protein 0.0259 0.1185 0.1185
Leishmania major dihydrolipoamide dehydrogenase, putative 0.045 0.2803 0.2803
Onchocerca volvulus Neurogenic locus notch homolog 0.0126 0.0054 0.0567
Schistosoma mansoni cell polarity protein 0.0126 0.0054 0.0054
Onchocerca volvulus 0.0126 0.0054 0.0567
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.045 0.2803 0.2803
Entamoeba histolytica thioredoxin reductase, putative 0.0119 0 0.5
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.045 0.2803 0.2803
Brugia malayi Calcium binding EGF domain containing protein 0.0126 0.0054 0.0054
Onchocerca volvulus 0.0126 0.0054 0.0567
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0331 0.179 0.179
Loa Loa (eye worm) hypothetical protein 0.0358 0.2025 0.2025
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Echinococcus granulosus delta-like protein 1 0.0126 0.0054 0.0054
Onchocerca volvulus 0.0232 0.0958 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0126 0.0054 0.0054
Plasmodium falciparum thioredoxin reductase 0.045 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Brugia malayi EGF-like domain containing protein 0.0126 0.0054 0.0054
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.045 0.2803 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.045 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0232 0.0958 0.0958
Schistosoma mansoni notch 0.0126 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0126 0.0054 0.0054
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.045 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0164 0.0377 0.0377
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Trichomonas vaginalis glutathione reductase, putative 0.045 0.2803 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0126 0.0054 0.0054
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.045 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0331 0.179 0.179
Brugia malayi EGF-like domain containing protein 0.0126 0.0054 0.0054
Schistosoma mansoni slit 0.0126 0.0054 0.0054
Onchocerca volvulus 0.0126 0.0054 0.0567
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.045 0.2803 0.2803
Plasmodium falciparum thioredoxin reductase 0.1299 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.045 0.2803 0.2803
Plasmodium falciparum glutathione reductase 0.1299 1 1
Echinococcus granulosus neurogenic locus protein delta 0.0126 0.0054 0.0054
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.045 0.2803 0.2803
Brugia malayi hypothetical protein 0.0164 0.0377 0.0377
Schistosoma mansoni hypothetical protein 0.0126 0.0054 0.0054
Onchocerca volvulus 0.0232 0.0958 1
Echinococcus multilocularis protein jagged 1 0.0126 0.0054 0.0054
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0119 0 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.045 0.2803 0.2803
Brugia malayi Immunoglobulin I-set domain containing protein 0.0164 0.0377 0.0377
Echinococcus multilocularis neuroglian 0.0206 0.0732 0.0732
Loa Loa (eye worm) hypothetical protein 0.0232 0.0958 0.0958
Echinococcus multilocularis thioredoxin glutathione reductase 0.1299 1 1
Schistosoma mansoni nephrin 0.0206 0.0732 0.0732
Brugia malayi Cadherin domain containing protein 0.0126 0.0054 0.0054
Entamoeba histolytica disulphide oxidoreductase, putative 0.0119 0 0.5
Echinococcus granulosus protein jagged 1 0.0126 0.0054 0.0054
Schistosoma mansoni notch 0.0126 0.0054 0.0054
Echinococcus granulosus c4b binding protein beta chain 0.0232 0.0958 0.0958
Echinococcus multilocularis neurogenic locus notch protein 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0217 0.083 0.083
Onchocerca volvulus 0.0232 0.0958 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.0958 0.0958
Echinococcus granulosus protein jagged 1 0.0126 0.0054 0.0054
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0164 0.0377 0.0377
Brugia malayi Calcium binding EGF domain containing protein 0.0126 0.0054 0.0054
Brugia malayi Fibronectin type III domain containing protein 0.0164 0.0377 0.0377
Leishmania major dihydrolipoamide dehydrogenase, putative 0.045 0.2803 0.2803
Schistosoma mansoni cell adhesion molecule 0.0217 0.083 0.083
Onchocerca volvulus 0.0232 0.0958 1
Schistosoma mansoni septate junction protein 0.0126 0.0054 0.0054
Echinococcus granulosus protein jagged 2 0.0126 0.0054 0.0054
Echinococcus granulosus notch 0.0126 0.0054 0.0054
Echinococcus multilocularis notch 0.0126 0.0054 0.0054
Toxoplasma gondii rhoptry neck protein RON9 0.0232 0.0958 0.0958
Loa Loa (eye worm) hypothetical protein 0.0232 0.0958 0.0958
Brugia malayi hypothetical protein 0.0232 0.0958 0.0958
Onchocerca volvulus 0.0232 0.0958 1
Echinococcus multilocularis protein jagged 1 0.0126 0.0054 0.0054
Schistosoma mansoni notch 0.0126 0.0054 0.0054
Echinococcus granulosus twitchin 0.0206 0.0732 0.0732
Loa Loa (eye worm) hypothetical protein 0.0232 0.0958 0.0958
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.045 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.045 0.2803 0.2803
Echinococcus multilocularis neural cadherin 0.0126 0.0054 0.0054
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.045 0.2803 0.2803
Loa Loa (eye worm) thioredoxin reductase 0.1299 1 1
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0119 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Echinococcus granulosus slit 2 protein 0.0126 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0126 0.0054 0.0054
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.045 0.2803 0.2803
Treponema pallidum NADH oxidase 0.045 0.2803 1
Onchocerca volvulus 0.0126 0.0054 0.0567
Echinococcus multilocularis Immunoglobulin 0.0164 0.0377 0.0377
Echinococcus granulosus neuroglian 0.0206 0.0732 0.0732
Brugia malayi EGF-like domain containing protein 0.0126 0.0054 0.0054
Echinococcus granulosus roundabout 2 0.0259 0.1185 0.1185
Plasmodium vivax glutathione reductase, putative 0.1299 1 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0259 0.1185 0.1185
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Echinococcus multilocularis slit 2 protein 0.0126 0.0054 0.0054
Brugia malayi Delta serrate ligand family protein 0.0126 0.0054 0.0054
Toxoplasma gondii rhoptry neck protein RON1 0.0232 0.0958 0.0958
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0126 0.0054 0.0054
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.045 0.2803 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.045 0.2803 0.2803
Onchocerca volvulus 0.0126 0.0054 0.0567
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.045 0.2803 0.2803
Loa Loa (eye worm) glutathione reductase 0.1299 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0217 0.083 0.083
Brugia malayi hypothetical protein 0.0232 0.0958 0.0958
Plasmodium vivax thioredoxin reductase, putative 0.1299 1 1
Echinococcus multilocularis c4b binding protein beta chain 0.0232 0.0958 0.0958
Echinococcus granulosus neurogenic locus notch protein 0.0126 0.0054 0.0054
Onchocerca volvulus 0.0232 0.0958 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.045 0.2803 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.045 0.2803 0.2803
Loa Loa (eye worm) hypothetical protein 0.0232 0.0958 0.0958
Loa Loa (eye worm) notch protein 0.0126 0.0054 0.0054
Giardia lamblia High cysteine protein 0.0126 0.0054 0.0194
Onchocerca volvulus Slit protein homolog 0.0126 0.0054 0.0567
Loa Loa (eye worm) hypothetical protein 0.0164 0.0377 0.0377
Brugia malayi GCC2 and GCC3 family protein 0.0358 0.2025 0.2025
Brugia malayi EGF-like domain containing protein 0.0126 0.0054 0.0054
Trypanosoma cruzi trypanothione reductase, putative 0.1299 1 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.0377 0.0377
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Giardia lamblia NADH oxidase lateral transfer candidate 0.045 0.2803 1
Onchocerca volvulus Putative cubilin 0.0126 0.0054 0.0567
Brugia malayi Immunoglobulin I-set domain containing protein 0.0217 0.083 0.083
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Plasmodium vivax apical sushi protein, putative 0.0232 0.0958 0.0958
Echinococcus granulosus thioredoxin glutathione reductase 0.1299 1 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0126 0.0054 0.0054
Toxoplasma gondii EGF family domain-containing protein 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Echinococcus multilocularis C type lectin domian containing protein 0.0232 0.0958 0.0958
Echinococcus multilocularis fibropellin Ia 0.0126 0.0054 0.0054
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0217 0.083 0.083
Toxoplasma gondii thioredoxin reductase 0.1299 1 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0126 0.0054 0.0054
Echinococcus granulosus neural cadherin 0.0126 0.0054 0.0054
Leishmania major trypanothione reductase 0.1299 1 1
Echinococcus granulosus C type lectin domian containing protein 0.0232 0.0958 0.0958
Echinococcus granulosus defective proboscis extension response 0.0164 0.0377 0.0377
Schistosoma mansoni notch 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Brugia malayi hypothetical protein 0.0232 0.0958 0.0958
Mycobacterium ulcerans flavoprotein disulfide reductase 0.045 0.2803 1
Echinococcus granulosus fibropellin Ia 0.0126 0.0054 0.0054
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.045 0.2803 0.2803
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.045 0.2803 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.045 0.2803 0.2803
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0119 0 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0126 0.0054 0.0054
Brugia malayi hypothetical protein 0.0232 0.0958 0.0958
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Brugia malayi notch-like transmembrane receptor 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Echinococcus granulosus protein jagged 2 0.0126 0.0054 0.0054
Onchocerca volvulus 0.0232 0.0958 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.045 0.2803 0.2803
Schistosoma mansoni hypothetical protein 0.0126 0.0054 0.0054
Onchocerca volvulus 0.0232 0.0958 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.045 0.2803 0.2803
Brugia malayi hypothetical protein 0.0232 0.0958 0.0958
Brugia malayi EGF-like domain containing protein 0.0126 0.0054 0.0054
Toxoplasma gondii NADPH-glutathione reductase 0.045 0.2803 0.2803
Schistosoma mansoni c4b-binding protein beta chain 0.0232 0.0958 0.0958
Echinococcus granulosus Immunoglobulin 0.0164 0.0377 0.0377
Echinococcus multilocularis neurogenic locus notch protein 0.0126 0.0054 0.0054
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0119 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.0377 0.0377
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.045 0.2803 1
Echinococcus multilocularis neurogenic locus protein delta 0.0126 0.0054 0.0054
Schistosoma mansoni notch 0.0126 0.0054 0.0054
Brugia malayi EGF-like domain containing protein 0.0126 0.0054 0.0054
Brugia malayi Thioredoxin reductase 0.1299 1 1
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0126 0.0054 0.0567
Loa Loa (eye worm) hypothetical protein 0.0126 0.0054 0.0054
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.045 0.2803 0.2803
Brugia malayi hypothetical protein 0.0232 0.0958 0.0958
Schistosoma mansoni laminin gamma-3 chain 0.0126 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0258 0.1179 0.1179
Trypanosoma cruzi trypanothione reductase, putative 0.045 0.2803 0.2803
Onchocerca volvulus 0.0232 0.0958 1
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0232 0.0958 0.0958
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0164 0.0377 0.0377
Schistosoma mansoni notch 0.0126 0.0054 0.0054
Brugia malayi hypothetical protein 0.0232 0.0958 0.0958
Trypanosoma brucei trypanothione reductase 0.1299 1 1
Echinococcus multilocularis neurogenic locus protein delta 0.0126 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0126 0.0054 0.0054
Plasmodium falciparum apical sushi protein 0.0232 0.0958 0.0958

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM BindingDB_Patents: Inhibition Assay. The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay buffer containing (v/v) 3% DMSO) or, in the control experiments, with the vehicle in a multiple assay plate. After incubation for 15 min at room temperature, as substrate then bradykinin carrying an N-terminal ®Bodipy FL (4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-propionyl) label (JPT Peptide Technologies GmbH; dissolved in assay buffer) was added to the mixture. The final concentration of cathepsin A was 833 ng/ml and the final concentration of labeled bradykinin 2 µM. After incubation for 15 min at room temperature the reaction was stopped by the addition of stop buffer (130 mM 2-(4-(2-hydroxy-ethyl)-piperazin-1-yl)-ethanesulfonic acid, pH 7.4, containing (v/v) 0.013% ®Triton X-100, 0.13% Coating Reagent 3 (Caliper Life Sciences), 6.5% DMSO and 20 µM ebelactone B (Sigma, #E0886)). 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.
 
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

Bibliographic References

No literature references available for this target.

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