Detailed information for compound 1266985

Basic information

Technical information
  • TDR Targets ID: 1266985
  • Name: ethyl 2-[4-chloro-2-methoxy-6-[3-(3-methylphe nyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy ]acetate
  • MW: 480.94 | Formula: C26H25ClN2O5
  • H donors: 1 H acceptors: 2 LogP: 5.55 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)COc1c(OC)cc(cc1C1Nc2ccccc2C(=O)N1c1cccc(c1)C)Cl
  • InChi: 1S/C26H25ClN2O5/c1-4-33-23(30)15-34-24-20(13-17(27)14-22(24)32-3)25-28-21-11-6-5-10-19(21)26(31)29(25)18-9-7-8-16(2)12-18/h5-14,25,28H,4,15H2,1-3H3
  • InChiKey: UWSGFHNZNKXDSS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-chloro-2-methoxy-6-[3-(3-methylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid ethyl ester
  • 2-[4-chloro-2-[4-keto-3-(3-methylphenyl)-1,2-dihydroquinazolin-2-yl]-6-methoxy-phenoxy]acetic acid ethyl ester
  • ethyl 2-[4-chloro-2-methoxy-6-[3-(3-methylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]ethanoate
  • MLS000545929
  • SMR000160729
  • ethyl{4-chloro-2-methoxy-6-[3-(3-methylphenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]phenoxy}acetate
  • AN-465/42244788

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
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 cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii thioredoxin 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
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase 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
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani trypanothione 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
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Plasmodium knowlesi glutathione reductase, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0266 0.4525 1
Loa Loa (eye worm) hypothetical protein 0.0266 0.4525 1
Loa Loa (eye worm) hypothetical protein 0.014 0.2184 0.4827
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0266 0.4525 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0266 0.4525 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.2269 0.5169
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0266 0.4525 0.4424
Schistosoma mansoni retinoic acid receptor RXR 0.0266 0.4525 1
Echinococcus granulosus ecdysone induced protein 78C 0.0266 0.4525 0.4437
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.5622 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.5622 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.3877 0.8569
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.5622 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.2269 0.8659
Loa Loa (eye worm) steroid hormone receptor 0.0266 0.4525 1
Echinococcus granulosus nuclear receptor nhr 48 0.0125 0.1904 0.1773
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Loa Loa (eye worm) hypothetical protein 0.0033 0.0182 0.0401
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0266 0.4525 1
Brugia malayi Cytochrome P450 family protein 0.0059 0.0664 0.1466
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.063 0.1392
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0125 0.1904 0.3964
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0125 0.1904 0.4207
Schistosoma mansoni nuclear hormone receptor 0.0125 0.1904 0.3964
Brugia malayi hypothetical protein 0.014 0.2184 0.4827
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0125 0.1904 0.1754
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0125 0.1904 0.1754
Loa Loa (eye worm) hypothetical protein 0.014 0.2184 0.4827
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0266 0.4525 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0125 0.1904 0.3964
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.2038 0.4503
Onchocerca volvulus Protein ultraspiracle homolog 0.0266 0.4525 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Onchocerca volvulus 0.0263 0.4474 0.9881
Echinococcus granulosus FTZ F1 alpha 0.0266 0.4525 0.4437
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0125 0.1904 0.1754
Onchocerca volvulus 0.0125 0.1904 0.3964
Onchocerca volvulus 0.0266 0.4525 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.2269 0.8659
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0266 0.4525 0.4437
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0125 0.1904 0.3964
Loa Loa (eye worm) hypothetical protein 0.0266 0.4525 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.014 0.2184 0.4827
Brugia malayi photoreceptor-specific nuclear receptor 0.0266 0.4525 1
Schistosoma mansoni hypothetical protein 0.0041 0.0332 0.0346
Echinococcus granulosus Nuclear hormone receptor HR96 0.0125 0.1904 0.1773
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0266 0.4525 1
Brugia malayi nuclear hormone receptor 0.0266 0.4525 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.5622 1
Schistosoma mansoni nuclear hormone receptor 0.0266 0.4525 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0266 0.4525 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0158 0.2523 1
Schistosoma mansoni RAR-like nuclear receptor 0.0266 0.4525 1
Schistosoma mansoni nuclear receptor nhr-48 0.0125 0.1904 0.3964
Echinococcus multilocularis nuclear receptor nhr 48 0.0125 0.1904 0.1754
Brugia malayi ecdysteroid receptor 0.0266 0.4525 1
Schistosoma mansoni thyroid hormone receptor 0.0266 0.4525 1
Brugia malayi orphan nuclear receptor NR2E1 0.0125 0.1904 0.4207
Plasmodium falciparum thioredoxin reductase 0.0057 0.063 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.014 0.2184 0.204
Giardia lamblia Fructose-bisphosphate aldolase 0.0324 0.5622 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0664 0.1466
Brugia malayi nuclear receptor NHR-88 0.0125 0.1904 0.4207
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0266 0.4525 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0158 0.2523 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0266 0.4525 0.4424
Schistosoma mansoni nuclear receptor 0.0125 0.1904 0.3964
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0266 0.4525 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0266 0.4525 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0266 0.4525 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0266 0.4525 0.4437
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1997 0.7223
Mycobacterium tuberculosis Probable reductase 0.013 0.1997 0.7223
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0266 0.4525 1
Loa Loa (eye worm) hypothetical protein 0.0266 0.4525 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.014 0.2184 0.2058
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0125 0.1904 0.1754
Treponema pallidum fructose-bisphosphate aldolase 0.0324 0.5622 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0332 0.0733
Loa Loa (eye worm) nuclear receptor NHR-67 0.0125 0.1904 0.4207
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0266 0.4525 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0266 0.4525 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0266 0.4525 0.4424
Trypanosoma brucei trypanothione reductase 0.0057 0.063 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.5622 1
Brugia malayi steroid hormone receptor 0.0266 0.4525 1
Brugia malayi Pre-SET motif family protein 0.0231 0.3877 0.8569
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0266 0.4525 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0688 0.152
Loa Loa (eye worm) hypothetical protein 0.014 0.2184 0.4827
Leishmania major trypanothione reductase 0.0057 0.063 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0266 0.4525 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.2038 0.4503
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0266 0.4525 0.4437
Brugia malayi Nuclear hormone receptor-like 1 0.014 0.2184 0.4827
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.063 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0125 0.1904 0.1754
Echinococcus granulosus thyroid hormone receptor alpha 0.0125 0.1904 0.1773
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1997 0.7223
Loa Loa (eye worm) DR-78 0.0125 0.1904 0.4207
Brugia malayi Nuclear hormone receptor E75 0.0125 0.1904 0.4207
Brugia malayi nuclear hormone receptor family member odr-7 0.0125 0.1904 0.4207
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0266 0.4525 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0266 0.4525 0.4424
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0266 0.4525 0.4424
Schistosoma mansoni retinoid-x-receptor (RXR) 0.014 0.2184 0.4611
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1997 0.7223
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0688 0.152
Schistosoma mansoni thyroid hormone receptor 0.0266 0.4525 1
Schistosoma mansoni zinc finger protein 0.0125 0.1904 0.3964
Brugia malayi Steroid receptor seven-up type 2 0.0266 0.4525 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0125 0.1904 0.4207
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0266 0.4525 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.063 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.063 0.0479
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0266 0.4525 1
Brugia malayi hypothetical protein 0.014 0.2184 0.4827
Brugia malayi conserved hypotetical protein 0.0125 0.1904 0.4207
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1997 0.7223
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0125 0.1904 0.3964
Brugia malayi MH2 domain containing protein 0.0132 0.2038 0.4503
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1997 0.7223
Brugia malayi nuclear hormone receptor family member nhr-6 0.0125 0.1904 0.4207
Echinococcus multilocularis neuropeptide receptor A26 0.0558 1 1
Brugia malayi Pre-SET motif family protein 0.0033 0.0182 0.0401
Loa Loa (eye worm) hypothetical protein 0.0266 0.4525 1
Schistosoma mansoni coup transcription factor 0.0266 0.4525 1
Schistosoma mansoni nuclear receptor 0.0125 0.1904 0.3964
Loa Loa (eye worm) hypothetical protein 0.0266 0.4525 1
Brugia malayi Nuclear hormone receptor-like 1 0.0266 0.4525 1
Plasmodium falciparum glutathione reductase 0.0057 0.063 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.063 0.0457
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0266 0.4525 1
Schistosoma mansoni nuclear hormone receptor 0.0125 0.1904 0.3964
Brugia malayi Nuclear hormone receptor-like 1 0.014 0.2184 0.4827
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.5622 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0266 0.4525 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0324 0.5622 0.5
Brugia malayi tailless protein 0.0125 0.1904 0.4207
Loa Loa (eye worm) glutathione reductase 0.0057 0.063 0.1392
Toxoplasma gondii thioredoxin reductase 0.0057 0.063 1
Brugia malayi nuclear receptor NHR-67 0.0125 0.1904 0.4207
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.5622 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0266 0.4525 0.4424
Loa Loa (eye worm) hypothetical protein 0.0266 0.4525 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0266 0.4525 0.4437
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0182 0.0023
Onchocerca volvulus Bile acid receptor homolog 0.0266 0.4525 1
Loa Loa (eye worm) hypothetical protein 0.014 0.2184 0.4827
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0158 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.014 0.2184 0.4827
Loa Loa (eye worm) nuclear hormone receptor 0.0125 0.1904 0.4207
Brugia malayi Thioredoxin reductase 0.0057 0.063 0.1392
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Brugia malayi hypothetical protein 0.0125 0.1904 0.4207
Brugia malayi glutathione reductase 0.0057 0.063 0.1392
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0266 0.4525 0.4437
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0266 0.4525 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0266 0.4525 0.4437
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0324 0.5622 0.5
Brugia malayi nuclear hormone receptor 0.0125 0.1904 0.4207
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0125 0.1904 0.1773
Loa Loa (eye worm) hypothetical protein 0.0041 0.0332 0.0733
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0266 0.4525 0.4437
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.5622 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0266 0.4525 1
Brugia malayi nuclear receptor RXR 0.014 0.2184 0.4827
Loa Loa (eye worm) hypothetical protein 0.0266 0.4525 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0266 0.4525 0.4424
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0266 0.4525 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0266 0.4525 0.4424
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0266 0.4525 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0266 0.4525 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Brugia malayi ecdysone receptor 0.0125 0.1904 0.4207
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.063 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0266 0.4525 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0688 0.152
Brugia malayi hypothetical protein 0.0125 0.1904 0.4207
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0688 0.152
Loa Loa (eye worm) hypothetical protein 0.0125 0.1904 0.4207
Schistosoma mansoni steroid hormone receptor ad4bp 0.0266 0.4525 1
Brugia malayi nuclear receptor NHR-88 0.0266 0.4525 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.2269 0.8659
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.014 0.2184 0.4611
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0125 0.1904 0.1773
Onchocerca volvulus 0.0125 0.1904 0.3964
Echinococcus multilocularis FTZ F1 alpha 0.0266 0.4525 0.4424
Echinococcus granulosus Nuclear hormone receptor HR96 0.0125 0.1904 0.1773
Brugia malayi Nuclear hormone receptor E75 0.0125 0.1904 0.4207
Echinococcus multilocularis neuropeptide s receptor 0.0558 1 1
Brugia malayi nuclear receptor RXR 0.0125 0.1904 0.4207
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0266 0.4525 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.707945784 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1.412537545 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.0738 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) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 25.1189 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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