Detailed information for compound 1291680

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.488 | Formula: C24H28N2O7
  • H donors: 5 H acceptors: 7 LogP: 2.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@@H]1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)O)C
  • InChi: 1S/C24H28N2O7/c1-9(2)15-12-8-10-7-11-13(26(3)4)5-6-14(27)17(11)20(29)16(10)21(30)24(12,33)22(31)18(19(15)28)23(25)32/h5-6,9-10,12,15,27-28,30,33H,7-8H2,1-4H3,(H2,25,32)/t10-,12-,15-,24-/m0/s1
  • InChiKey: NOVCVIHKUSKQHJ-SFGRBYKHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens arylsulfatase A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi 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
Brugia malayi 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione 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
Leishmania mexicana trypanothione 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium berghei 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 MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin 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
Plasmodium knowlesi thioredoxin reductase, putative 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
Plasmodium vivax thioredoxin reductase, putative 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
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130847 All targets in OG5_130847
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Mycobacterium ulcerans arylsulfatase AtsD arylsulfatase A 509 aa 439 aa 25.1 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
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 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.019 0.034 0.0465
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0003 0.0011
Onchocerca volvulus 0.0399 0.0798 0.0795
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0098 0.0139 0.0536
Brugia malayi hypothetical protein 0.0197 0.0355 0.0486
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.008 0.0099 0.0192
Brugia malayi TAR-binding protein 0.0061 0.0058 0.0076
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.0222 0.0411 0.1602
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0209 0.0607
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0399 0.0798 0.2974
Trypanosoma brucei nicotinate phosphoribosyltransferase, putative 0.0222 0.0411 0.1376
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0049 0.0181
Mycobacterium tuberculosis Probable reductase 0.013 0.0209 0.2137
Brugia malayi hypothetical protein 0.0043 0.0019 0.0022
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0098 0.0139 0.0547
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0058 0.0216
Loa Loa (eye worm) glutathione reductase 0.0057 0.0049 0.0181
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.008 0.0099 0.0192
Schistosoma mansoni nicotinate phosphoribosyltransferase 0.0222 0.0411 0.1602
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1258 0.2676 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0241 0.1114
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0399 0.0798 0.2851
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0058 0.0076
Echinococcus granulosus tar DNA binding protein 0.0061 0.0058 0.0227
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0241 0.2561
Plasmodium vivax glutathione reductase, putative 0.0057 0.0049 0.0172
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0399 0.0798 0.2851
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.008 0.0099 0.0192
Plasmodium falciparum telomerase reverse transcriptase 0.1258 0.2676 1
Toxoplasma gondii RNA-directed DNA polymerase 0.1258 0.2676 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0399 0.0798 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0098 0.0139 0.0188
Mycobacterium ulcerans 5'-3' exonuclease 0.008 0.0099 0.1031
Brugia malayi Telomerase reverse transcriptase 0.3348 0.7248 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0209 0.2137
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0399 0.0798 0.3125
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0474 0.1851
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0209 0.2137
Echinococcus granulosus thymidylate synthase 0.0399 0.0798 0.3133
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0019 0.0022
Brugia malayi PAS domain containing protein 0.0059 0.0053 0.0069
Mycobacterium ulcerans thymidylate synthase 0.0399 0.0798 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0049 0.0192
Echinococcus multilocularis nicotinamide phosphoribosyltransferase 0.1199 0.2547 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0241 0.2561
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0019 0.0064
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0399 0.0798 1
Plasmodium falciparum nicotinate phosphoribosyltransferase, putative 0.0222 0.0411 0.1376
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0058 0.0216
Mycobacterium tuberculosis Nicotinic acid phosphoribosyltransferase PncB2 0.0222 0.0411 0.4828
Trypanosoma brucei telomerase reverse transcriptase 0.1258 0.2676 1
Schistosoma mansoni single-minded 0.0059 0.0053 0.0195
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1258 0.2676 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.1258 0.2676 1
Leishmania major telomerase reverse transcriptase, putative 0.1258 0.2676 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0058 0.0216
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0209 0.2137
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0399 0.0798 0.2974
Loa Loa (eye worm) thymidylate synthase 0.0399 0.0798 0.3125
Brugia malayi hypoxia-induced factor 1 0.0182 0.0322 0.044
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.019 0.034 0.1107
Onchocerca volvulus 0.0043 0.0019 0.0016
Echinococcus multilocularis thymidylate synthase 0.0399 0.0798 0.3125
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0019 0.0064
Mycobacterium tuberculosis Nicotinic acid phosphoribosyltransferase PncB1 0.0222 0.0411 0.4828
Echinococcus granulosus single minded 2 0.0043 0.0019 0.0075
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0399 0.0798 0.2851
Brugia malayi RNA binding protein 0.0061 0.0058 0.0076
Echinococcus granulosus nicotinamide phosphoribosyltransferase 0.1199 0.2547 1
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0113 0.0171 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0049 0.0172
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0241 0.2561
Loa Loa (eye worm) hypothetical protein 0.0197 0.0355 0.1385
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0019 0.0064
Entamoeba histolytica nicotinate phosphoribosyltransferase, putative 0.0222 0.0411 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0209 0.2137
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0058 0.0216
Schistosoma mansoni hypothetical protein 0.0079 0.0097 0.0369
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.008 0.0099 0.0192
Echinococcus multilocularis FTZ F1 alpha 0.0098 0.0139 0.0536
Loa Loa (eye worm) hypothetical protein 0.0383 0.0762 0.2984
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0113 0.0171 0.1628
Brugia malayi glutathione reductase 0.0057 0.0049 0.0064
Giardia lamblia Telomerase catalytic subunit 0.1258 0.2676 0.5
Onchocerca volvulus 0.0286 0.055 0.0547
Leishmania major nicotinate phosphoribosyltransferase, putative 0.0222 0.0411 0.1376
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0058 0.0216
Brugia malayi Pre-B cell enhancing factor precursor 0.1199 0.2547 0.3512
Brugia malayi hypothetical protein 0.0147 0.0246 0.0335
Brugia malayi Pre-SET motif family protein 0.0251 0.0474 0.065
Toxoplasma gondii 5'-3' exonuclease, N-terminal resolvase family domain-containing protein 0.0039 0.001 0.0026
Mycobacterium tuberculosis Probable 5'-3' exonuclease 0.008 0.0099 0.0674
Brugia malayi thymidylate synthase 0.0399 0.0798 0.1097
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.008 0.0099 0.0192
Loa Loa (eye worm) pre-B cell enhancing factor 0.1199 0.2547 1
Loa Loa (eye worm) RNA binding protein 0.0061 0.0058 0.0216
Trichomonas vaginalis set domain proteins, putative 0.0286 0.055 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0053 0.0195
Mycobacterium ulcerans DNA polymerase I 0.0113 0.0171 0.1949
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0399 0.0798 0.2851
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0019 0.0075
Echinococcus granulosus FTZ F1 alpha 0.0391 0.078 0.3061
Mycobacterium tuberculosis Hypothetical protein 0.019 0.034 0.3883
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0098 0.0139 0.0536
Schistosoma mansoni hypothetical protein 0.0043 0.0019 0.0064
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0058 0.0216
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.008 0.0099 0.0361
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.0322 0.1254
Trichomonas vaginalis nicotinate phosphoribosyltransferase, putative 0.0222 0.0411 0.3368
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.1199 0.2547 1
Treponema pallidum nicotinate phosphoribosyltransferase 0.0222 0.0411 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.0049 0.0172
Trypanosoma cruzi nicotinate phosphoribosyltransferase, putative 0.0222 0.0411 0.1376
Loa Loa (eye worm) hypothetical protein 0.0098 0.0139 0.0536
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0058 0.0216
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0058 0.0216
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0049 0.0181
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0098 0.0139 0.0188
Brugia malayi Thioredoxin reductase 0.0057 0.0049 0.0064
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0209 0.2137
Chlamydia trachomatis DNA polymerase I 0.0113 0.0171 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.2562 uM PubChem BioAssay. qHTS screen for enhancers of Arylsulfatase A (ASA1): LOPAC Validation Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.6109 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.5193 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 14.1254 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
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588378, AID588380] ChEMBL. No reference
Potency (functional) 18.8876 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771, AID488772] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 29.9349 uM PUBCHEM_BIOASSAY: qHTS Validation Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 37.6858 uM PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors for MPP8 Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
Homo sapiens 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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