Detailed information for compound 1357654

Basic information

Technical information
  • TDR Targets ID: 1357654
  • Name: ethyl 6'-amino-5'-cyano-2-oxo-2'-propylspiro[ 1H-indole-3,4'-pyran]-3'-carboxylate
  • MW: 353.372 | Formula: C19H19N3O4
  • H donors: 2 H acceptors: 3 LogP: 1.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(CCC)OC(=C(C21C(=O)Nc1c2cccc1)C#N)N
  • InChi: 1S/C19H19N3O4/c1-3-7-14-15(17(23)25-4-2)19(12(10-20)16(21)26-14)11-8-5-6-9-13(11)22-18(19)24/h5-6,8-9H,3-4,7,21H2,1-2H3,(H,22,24)
  • InChiKey: LPELHYVBQWGAFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 6'-amino-5'-cyano-2-oxo-2'-propyl-spiro[indoline-3,4'-pyran]-3'-carboxylate
  • 6'-amino-5'-cyano-2-oxo-2'-propyl-3'-spiro[indoline-3,4'-pyran]carboxylic acid ethyl ester
  • 6'-amino-5'-cyano-2-keto-2'-propyl-spiro[indoline-3,4'-pyran]-3'-carboxylic acid ethyl ester
  • ethyl 6'-amino-5'-cyano-2-oxo-2'-propyl-spiro[1H-indole-3,4'-pyran]-3'-carboxylate
  • MLS000105919
  • SMR000102893
  • A1167/0054353
  • BAS 01108191
  • Oprea1_383372
  • ChemDiv1_002186
  • Oprea1_085054

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH2 domain containing protein 0.001 0.0241 0.0245
Loa Loa (eye worm) hypothetical protein 0.0012 0.0412 0.0418
Brugia malayi ecdysteroid receptor 0.0012 0.0412 0.0418
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4782 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0412 0.0412
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0412 0.0861
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0412 0.0861
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0412 0.0418
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0241 0.0505
Loa Loa (eye worm) glutathione reductase 0.0046 0.2805 0.2849
Brugia malayi MH1 domain containing protein 0.001 0.0241 0.0245
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0412 0.0418
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0671 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0671 0.5
Echinococcus granulosus Smad4 0.001 0.0241 0.0505
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0412 0.0418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0412 0.0418
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0412 0.0861
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0412 0.0418
Toxoplasma gondii thioredoxin reductase 0.0046 0.2805 0.5192
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0412 0.0861
Loa Loa (eye worm) hypothetical protein 0.0012 0.0412 0.0418
Brugia malayi steroid hormone receptor 0.0012 0.0412 0.0418
Schistosoma mansoni Smad4 0.001 0.0241 0.0241
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.699 0.8837
Plasmodium falciparum thioredoxin reductase 0.0046 0.2805 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0412 0.0861
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0671 0.1403
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0671 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.699 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.7822 1
Onchocerca volvulus 0.0012 0.0412 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0412 0.5
Plasmodium falciparum glutathione reductase 0.0046 0.2805 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0412 0.0418
Echinococcus multilocularis smad 0.001 0.0241 0.0505
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.4782 0.575
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.2805 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0412 0.0418
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.7822 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0412 0.0418
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0671 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0241 0.0505
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0412 0.0861
Plasmodium vivax glutathione reductase, putative 0.0046 0.2805 1
Brugia malayi Thioredoxin reductase 0.0046 0.2805 0.2849
Loa Loa (eye worm) hypothetical protein 0.0012 0.0412 0.0418
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0412 0.0412
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0412 0.0861
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0412 0.0861
Brugia malayi glutathione reductase 0.0046 0.2805 0.2849
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0412 0.0418
Schistosoma mansoni smad1 5 8 and 0.001 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0012 0.0412 0.0418
Loa Loa (eye worm) hypothetical protein 0.0012 0.0412 0.0418
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0412 0.0412
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.4782 0.4782
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4782 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0412 0.0412
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.2805 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0241 0.0241
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0412 0.0861
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0412 0.0418
Schistosoma mansoni smad1 5 8 and 0.001 0.0241 0.0241
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0671 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0412 0.0861
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0412 0.0418
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0671 0.1403
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0671 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0412 0.0418
Brugia malayi MH1 domain containing protein 0.001 0.0241 0.0245
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.7822 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0412 0.0412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0412 0.0418
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.2805 0.2985
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0412 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0.0241 0.0241
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.037 0.0376
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2849 0.5958
Schistosoma mansoni coup transcription factor 0.0012 0.0412 0.0412
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.7822 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0412 0.0418
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0412 0.0418
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0671 0.0681
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0412 0.0412
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0412 0.0418
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.699 0.8837
Treponema pallidum NADH oxidase 0.0016 0.0671 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0412 0.0861
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0241 0.0505
Leishmania major trypanothione reductase 0.0046 0.2805 0.5192
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0412 0.0418
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0412 0.0861
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0412 0.0418
Loa Loa (eye worm) hypothetical protein 0.0012 0.0412 0.0418
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.4782 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.699 0.8837
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.4782 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0412 0.0418
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0412 0.0861
Schistosoma mansoni smad 0.001 0.0241 0.0241
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0412 0.0861
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0412 0.0412
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0412 0.5
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0412 0.0861
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.4782 1
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0241 0.0505
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0412 0.0412
Brugia malayi nuclear receptor NHR-88 0.0012 0.0412 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0412 0.0418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0412 0.0418
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.9848 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.037 0.0376
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0412 0.0412
Brugia malayi MH2 domain containing protein 0.001 0.0241 0.0245
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.4782 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0241 0.0245
Loa Loa (eye worm) hypothetical protein 0.0012 0.0412 0.0418
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.2805 0.2849
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2849 0.5958
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.699 0.8837
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0412 0.0861
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0671 0.0671
Brugia malayi nuclear hormone receptor 0.0012 0.0412 0.0418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0412 0.0418
Echinococcus granulosus smad 0.001 0.0241 0.0505
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4782 1
Mycobacterium tuberculosis Probable reductase 0.0104 0.699 0.8837
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0412 0.0412
Trypanosoma brucei trypanothione reductase 0.0046 0.2805 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.4782 0.4782
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0412 0.0861
Brugia malayi Smad1 0.001 0.0241 0.0245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0412 0.0418
Echinococcus multilocularis Smad4 0.001 0.0241 0.0505
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.9848 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0412 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0412 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0412 0.0418
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0412 0.0861
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0412 0.0412
Brugia malayi MH2 domain containing protein 0.0144 0.9848 1
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0241 0.0245
Loa Loa (eye worm) Smad1 0.001 0.0241 0.0245

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3294 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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