Detailed information for compound 1379892

Basic information

Technical information
  • TDR Targets ID: 1379892
  • Name: 7-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychrom en-2-one
  • MW: 303.31 | Formula: C16H17NO5
  • H donors: 0 H acceptors: 2 LogP: 1.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Oc1ccc2c(c1)oc(=O)cc2)C)N1CCOCC1
  • InChi: 1S/C16H17NO5/c1-11(16(19)17-6-8-20-9-7-17)21-13-4-2-12-3-5-15(18)22-14(12)10-13/h2-5,10-11H,6-9H2,1H3
  • InChiKey: ACRBSPVHTUYQRI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-(1-methyl-2-morpholino-2-oxo-ethoxy)chromen-2-one
  • 7-(1-methyl-2-morpholino-2-oxoethoxy)-2-chromenone
  • 7-(2-keto-1-methyl-2-morpholino-ethoxy)coumarin
  • 7-(1-morpholin-4-yl-1-oxo-propan-2-yl)oxychromen-2-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei 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 adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Neospora caninum Glutathione reductase, related 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
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Trypanosoma brucei gambiense trypanothione 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
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major 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
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
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
Plasmodium falciparum thioredoxin 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
Leishmania braziliensis trypanothione reductase 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
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma congolense trypanothione reductase, putative 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
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Theileria parva thioredoxin reductase, putative 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
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
Leishmania mexicana 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
Plasmodium falciparum 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
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Cryptosporidium parvum thioredoxin reductase 1 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
Brugia malayi glutathione 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
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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 22.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0329 0.0179
Schistosoma mansoni intermediate filament proteins 0.0027 0.0345 0.0208
Brugia malayi intermediate filament protein 0.0027 0.0345 0.0928
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0298 0.1392
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0025 0.0306 0.0155
Loa Loa (eye worm) hypothetical protein 0.0025 0.0298 0.0801
Entamoeba histolytica hypothetical protein 0.0109 0.2644 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.143 0.1386
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0025 0.0306 0.0155
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0941 0.2528
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.3234 0.3021
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1194 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0025 0.0306 0.0155
Trypanosoma brucei oxidoreductase-like protein 0.0025 0.0306 0.1464
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.0329 0.0179
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0298 0.0147
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0025 0.0306 0.1464
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0025 0.0306 0.0264
Schistosoma mansoni hypothetical protein 0.0205 0.5309 0.5595
Onchocerca volvulus 0.0027 0.0345 0.044
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.0329 0.0179
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0941 0.1363
Loa Loa (eye worm) hypothetical protein 0.0026 0.0332 0.0891
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Echinococcus granulosus lamin 0.0027 0.0345 0.0332
Schistosoma mansoni lamin 0.0027 0.0345 0.0208
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0306 0.0155
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0025 0.0306 0.0155
Loa Loa (eye worm) oxidoreductase 0.0025 0.0306 0.0821
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0298 0.0147
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.4721 0.4555
Schistosoma mansoni lamin 0.0027 0.0345 0.0208
Trypanosoma brucei trypanothione reductase 0.0057 0.1194 1
Echinococcus granulosus muscleblind protein 0.0148 0.3722 0.6176
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1208 0.1145
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0941 0.2528
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0941 0.0855
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.364 0.3439
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0345 0.0928
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.0329 0.0179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0941 0.1363
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.4721 0.4639
Schistosoma mansoni hypothetical protein 0.0109 0.2644 0.2703
Echinococcus granulosus Aminotransferase class III 0.0026 0.0329 0.0305
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.143 0.221
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.0329 0.0179
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.3234 0.3129
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.4721 0.4639
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.1208 0.1145
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0007 0.0018
Entamoeba histolytica hypothetical protein 0.0109 0.2644 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1194 0.1801
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0025 0.0306 0.0155
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.0329 0.0179
Entamoeba histolytica hypothetical protein 0.0109 0.2644 1
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0026 0.0329 0.0024
Brugia malayi hypothetical protein 0.0025 0.0298 0.0801
Leishmania major trypanothione reductase 0.0057 0.1194 1
Echinococcus multilocularis muscleblind protein 1 0.0148 0.3722 0.6176
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0025 0.0306 0.0155
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0025 0.0306 0.0155
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0306 0.0155
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.1208 0.3245
Brugia malayi hypothetical protein 0.0016 0.0051 0.0138
Leishmania major hypothetical protein, conserved 0.0025 0.0298 0.1392
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.1208 0.1825
Leishmania major pteridine reductase 1 0.0025 0.0306 0.1464
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.143 0.221
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.0329 0.0179
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.3234 0.3129
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0298 0.0147
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1208 0.1145
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0329 0.0179
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.4721 0.4639
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0329 0.0191
Loa Loa (eye worm) hypothetical protein 0.0148 0.3722 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.1208 0.1825
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0025 0.0306 0.0155
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0306 0.0155
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.143 0.221
Schistosoma mansoni hypothetical protein 0.0205 0.5309 0.5595
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0153 0.0412
Plasmodium falciparum enoyl-acyl carrier reductase 0.0373 1 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.0329 0.0179
Echinococcus multilocularis musashi 0.0027 0.0345 0.0332
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0306 0.0155
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.5932 1
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0941 0.0855
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0153 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1194 0.1057
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.1208 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2903 0.7799
Loa Loa (eye worm) glutathione reductase 0.0057 0.1194 0.3208
Brugia malayi MH2 domain containing protein 0.0118 0.2903 0.7799
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0025 0.0306 0.0155
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0026 0.0329 0.0024
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.4721 0.4639
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0298 0.1392
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0025 0.0306 0.0264
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0026 0.0329 0.0024
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.0329 0.0179
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0025 0.0306 0.1464
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0007 0.0018
Schistosoma mansoni hypothetical protein 0.035 0.9368 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.364 0.3541
Echinococcus granulosus lamin dm0 0.0027 0.0345 0.0332
Schistosoma mansoni dihydropteridine reductase 0.0025 0.0306 0.0165
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0025 0.0306 0.1464
Mycobacterium ulcerans hypothetical protein 0.0184 0.4721 0.4639
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.5932 1
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0329 0.0179
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.1208 0.1825
Loa Loa (eye worm) hypothetical protein 0.0066 0.143 0.3843
Trypanosoma brucei pteridine reductase 1 0.0025 0.0306 0.1464
Loa Loa (eye worm) hypothetical protein 0.0148 0.3722 1
Onchocerca volvulus 0.0027 0.0345 0.044
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.0329 0.0885
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0329 0.0305
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0329 0.0305
Plasmodium falciparum thioredoxin reductase 0.0057 0.1194 0.1057
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Brugia malayi glutathione reductase 0.0057 0.1194 0.3208
Entamoeba histolytica hypothetical protein 0.0109 0.2644 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.364 0.3541
Brugia malayi Thioredoxin reductase 0.0057 0.1194 0.3208
Chlamydia trachomatis oxoacy-ACP reductase 0.0025 0.0306 0.0155
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.0329 0.0179
Echinococcus multilocularis muscleblind protein 0.0148 0.3722 0.6176
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.3234 0.3129
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0109 0.2644 0.431
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0025 0.0306 0.0155
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0306 0.0155
Loa Loa (eye worm) hypothetical protein 0.0058 0.1208 0.3245
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1194 0.1801
Loa Loa (eye worm) retinol dehydrogenase 12 0.0025 0.0306 0.0821
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.143 0.221
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.0329 0.0179
Plasmodium falciparum glutathione reductase 0.0057 0.1194 0.1057
Onchocerca volvulus 0.0058 0.1208 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0373 1 1
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0025 0.0306 0.0155
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0025 0.0306 0.0821
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0329 0.0305
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0306 0.0155
Loa Loa (eye worm) hypothetical protein 0.0027 0.0345 0.0928
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0373 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0109 0.2644 0.2703
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0025 0.0306 0.1464
Echinococcus granulosus intermediate filament protein 0.0027 0.0345 0.0332
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0941 0.1363
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Brugia malayi mbt repeat family protein 0.0058 0.1208 0.3245
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0329 0.0179
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0025 0.0306 0.0155
Echinococcus granulosus geminin 0.0205 0.5309 0.8921
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0329 0.0305
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0025 0.0306 0.1464
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0373 1 1
Echinococcus multilocularis lamin dm0 0.0027 0.0345 0.0332
Loa Loa (eye worm) MBCTL1 0.0066 0.143 0.3843
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0373 1 1
Trichomonas vaginalis hypothetical protein 0.0373 1 1
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.1208 0.1825
Plasmodium vivax glutathione reductase, putative 0.0057 0.1194 0.1057
Brugia malayi hypothetical protein 0.0109 0.2644 0.7103
Mycobacterium tuberculosis Probable reductase 0.013 0.3234 0.3129
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0025 0.0306 0.0155
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1194 0.3208
Mycobacterium ulcerans L-lysine aminotransferase 0.0026 0.0329 0.0179
Brugia malayi mbt repeat family protein 0.0058 0.1208 0.3245
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0373 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0941 0.0855
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0941 0.1363
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0345 0.0928
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0025 0.0306 0.0155
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0025 0.0306 0.1464
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0345 0.0928
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0025 0.0306 0.1464
Mycobacterium ulcerans oxidoreductase 0.0025 0.0306 0.0155
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0306 0.0155
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0298 0.1392
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0306 0.0155
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0373 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0306 0.0155
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0025 0.0306 0.0821
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.3234 0.3129
Treponema pallidum NADH oxidase 0.002 0.0153 0.5
Brugia malayi Muscleblind-like protein 0.0148 0.3722 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.143 0.3843
Loa Loa (eye worm) hypothetical protein 0.0025 0.0306 0.0821
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1194 0.1057
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.364 0.3541
Echinococcus multilocularis geminin 0.0205 0.5309 0.8921
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0298 0.0147
Toxoplasma gondii thioredoxin reductase 0.0057 0.1194 0.1057
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0025 0.0306 0.0165
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0025 0.0306 0.0821
Leishmania major oxidoreductase-like protein 0.0025 0.0306 0.1464
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2903 0.7799
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.3234 0.3129
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0109 0.2644 0.431
Echinococcus multilocularis lamin 0.0027 0.0345 0.0332

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 6.85 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.1 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 0.5805 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) 17.7828 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) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 75.193 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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