Detailed information for compound 794394

Basic information

Technical information
  • TDR Targets ID: 794394
  • Name: 8-(2-nitrophenyl)-7,8-dihydro-5H-[1,3]dioxolo [4,5-g]quinolin-6-one
  • MW: 312.277 | Formula: C16H12N2O5
  • H donors: 1 H acceptors: 3 LogP: 2.16 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2cc3OCOc3cc2C(C1)c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C16H12N2O5/c19-16-6-10(9-3-1-2-4-13(9)18(20)21)11-5-14-15(23-8-22-14)7-12(11)17-16/h1-5,7,10H,6,8H2,(H,17,19)
  • InChiKey: TVXUVYGQVVDYDM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • A2913/0122803

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0115 0.011
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0115 0.011
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0009 0.0005 0.0005
Leishmania major hypothetical protein, conserved 0.0026 0.025 0.0245
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0538 0.0865
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.148 0.1478
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.1514 0.8837
Echinococcus granulosus GPCR family 2 0.0034 0.0376 0.0606
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0009 0.0005 0.0005
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0209 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0003
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0804 0.1296
Leishmania major GTP-binding protein, putative 0.0021 0.0177 0.0172
Treponema pallidum bacterioferrin (TpF1) 0.0017 0.0127 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0038 0.0058
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0025 0.0247 0.0245
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0115 0.011
Loa Loa (eye worm) RGC/RGC protein kinase 0.0009 0.0005 0.0003
Loa Loa (eye worm) hypothetical protein 0.0673 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.0376 0.0601
Schistosoma mansoni hypothetical protein 0.0418 0.6172 1
Mycobacterium tuberculosis Probable reductase 0.0109 0.1514 0.8837
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0115 0.0184
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0376 0.0376
Brugia malayi hypothetical protein 0.0017 0.0114 0.0114
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0404 0.595 1
Echinococcus multilocularis snurportin 1 0.0301 0.4396 0.7122
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0289 0.0176
Brugia malayi Metabotropic glutamate receptor precursor. 0.0099 0.1355 0.1355
Leishmania major importin beta-1 subunit, putative 0.0023 0.0209 0.0204
Mycobacterium ulcerans bacterioferritin BfrB 0.0017 0.0127 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0115 0.011
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0177 0.131
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0122 0.1699 0.2752
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0009 0.0005 0.0005
Brugia malayi hypothetical protein 0.0026 0.025 0.025
Schistosoma mansoni hypothetical protein 0.0034 0.0376 0.0601
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0009 0.0005 0.0005
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0376 0.0606
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0538 0.0869
Onchocerca volvulus Poor gastrulation protein homolog 0.0016 0.0107 0.0171
Loa Loa (eye worm) RGC/RGC protein kinase 0.0009 0.0005 0.0003
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0588 0.0586
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0049 0.0049
Echinococcus granulosus ferritin 0.0017 0.0127 0.0203
Echinococcus granulosus glutamate receptor 2 0.0009 0.0005 0.0005
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0009 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0003
Echinococcus granulosus nmda type glutamate receptor 0.0009 0.0005 0.0005
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0009 0.0005 0.0005
Echinococcus multilocularis receptor type guanylyl cyclase 0.0009 0.0005 0.0005
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0009 0.0005 0.0005
Trichomonas vaginalis ran, putative 0.0021 0.0177 0.6607
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0003
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.4396 0.4395
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.1514 0.8829
Schistosoma mansoni hypothetical protein 0.0016 0.0107 0.0165
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0538 0.0869
Loa Loa (eye worm) hypothetical protein 0.0122 0.1699 0.1698
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0177 0.0177
Echinococcus granulosus cpg binding protein 0.0031 0.0333 0.0537
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0038 0.0058
Brugia malayi hypothetical protein 0.0009 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0301 0.4396 0.7121
Echinococcus granulosus snurportin 1 0.0301 0.4396 0.7122
Schistosoma mansoni ran 0.0021 0.0177 0.0279
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0112 0.1559 0.2521
Loa Loa (eye worm) glutathione reductase 0.0048 0.0588 0.0586
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0115 0.011
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0289 0.2956
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0289 0.0176
Mycobacterium ulcerans bacterioferritin BfrA 0.0017 0.0127 1
Echinococcus multilocularis dnaJ subfamily B 0.0418 0.6172 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0016 0.0107 0.0107
Schistosoma mansoni metabotropic glutamate receptor 0.0083 0.1113 0.1797
Brugia malayi RNA, U transporter 1 0.008 0.1072 0.1072
Echinococcus granulosus expressed protein 0.0017 0.0127 0.0203
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0177 0.1052
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.009 0.1215 0.1215
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0588 0.0583
Brugia malayi CXXC zinc finger family protein 0.0029 0.0308 0.0308
Loa Loa (eye worm) glutamate receptor 0.0099 0.1355 0.1354
Echinococcus granulosus metabotropic glutamate receptor 5 0.0122 0.1699 0.2752
Entamoeba histolytica Ran family GTPase 0.0021 0.0177 0.8442
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0177 0.0063
Toxoplasma gondii thioredoxin reductase 0.0048 0.0588 0.8027
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0115 0.0179
Echinococcus multilocularis GPCR, family 3, C terminal 0.0016 0.0107 0.017
Schistosoma mansoni ferritin 0.0017 0.0127 0.0198
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0588 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0115 0.011
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0009 0.0005 0.0005
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0376 0.0606
Echinococcus multilocularis vesicular acetylcholine transporter 0.0404 0.595 0.9641
Schistosoma mansoni metabotropic glutamate receptor 0.0048 0.0591 0.0951
Loa Loa (eye worm) RGC/RGC protein kinase 0.0009 0.0005 0.0003
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0209 0.0204
Plasmodium vivax glutathione reductase, putative 0.0048 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.148 0.1478
Trypanosoma brucei trypanothione reductase 0.0048 0.0588 0.0478
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0289 0.0466
Brugia malayi Receptor family ligand binding region containing protein 0.0009 0.0005 0.0005
Leishmania major trypanothione reductase 0.0048 0.0588 0.0583
Echinococcus multilocularis glutamate receptor 2 0.0009 0.0005 0.0005
Echinococcus granulosus dnaJ subfamily B 0.0418 0.6172 1
Brugia malayi vesicular acetylcholine transporter unc-17 0.0404 0.595 0.595
Echinococcus granulosus atrial natriuretic peptide receptor 0.0009 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0034 0.0376 0.0601
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.1514 0.8837
Schistosoma mansoni ferritin light chain 0.0017 0.0127 0.0198
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0673 1 1
Plasmodium vivax importin-beta 2, putative 0.0028 0.0289 0.3683
Brugia malayi metabotropic glutamate receptor type 2 0.0048 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.0016 0.0107 0.0105
Schistosoma mansoni ferritin 0.0017 0.0127 0.0198
Echinococcus multilocularis nmda type glutamate receptor 0.0009 0.0005 0.0005
Echinococcus multilocularis expressed protein 0.0017 0.0127 0.0203
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0538 0.0538
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0003
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0115 0.0184
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0177 0.0284
Echinococcus granulosus vesicular acetylcholine transporter 0.0404 0.595 0.9641
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0177 0.131
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0376 0.0374
Loa Loa (eye worm) hypothetical protein 0.0344 0.5045 0.5044
Echinococcus granulosus receptor type guanylyl cyclase 0.0009 0.0005 0.0005
Brugia malayi Guanylyl cyclase protein 23 0.0009 0.0005 0.0005
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0209 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0177 0.0284
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0538 0.0865
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.1514 0.8837
Brugia malayi Importin beta-1 subunit 0.0028 0.0289 0.0289
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0003
Brugia malayi Receptor family ligand binding region containing protein 0.0025 0.0247 0.0247
Schistosoma mansoni cpg binding protein 0.0031 0.0333 0.0532
Echinococcus multilocularis GPCR, family 2 0.0034 0.0376 0.0606
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0308 0.0306
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.1698 1
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0376 0.0376
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0017 0.0127 1
Schistosoma mansoni apoferritin-2 0.0017 0.0127 0.0198
Loa Loa (eye worm) hypothetical protein 0.0073 0.0969 0.0967
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0177 0.0172
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0083 0.1113 0.1801
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0588 0.2985
Schistosoma mansoni apoferritin-2 0.0017 0.0127 0.0198
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.148 0.148
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.1698 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0588 0.095
Plasmodium falciparum importin beta, putative 0.0028 0.0289 0.3683
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0016 0.0107 0.0171
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.1698 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0115 0.011
Echinococcus multilocularis glutamate receptor 2 0.0009 0.0005 0.0005
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0115 0.011
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0009 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0034 0.0376 0.0601
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0588 0.095
Leishmania major C-8 sterol isomerase-like protein 0.0673 1 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0673 1 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0404 0.595 0.9641
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0115 0.011
Echinococcus granulosus glutamate receptor 2 0.0009 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0003
Schistosoma mansoni importin beta-1 0.0028 0.0289 0.0461
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0969 0.0969
Echinococcus granulosus metabotropic glutamate receptor 2 0.0083 0.1113 0.1801
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0049 0.0049
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0209 1
Echinococcus granulosus tyrosine kinase 0.0009 0.0005 0.0005
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0017 0.0127 0.0072
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.025 0.0245
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0025 0.0247 0.0245
Echinococcus granulosus GPCR family 3 C terminal 0.0016 0.0107 0.017
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0376 0.0606
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0704 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0115 0.011
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0177 0.0175
Schistosoma mansoni cpg binding protein 0.0029 0.0308 0.0491
Plasmodium falciparum glutathione reductase 0.0048 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.025 0.0248
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.025 0.2292
Schistosoma mansoni ferritin 0.0017 0.0127 0.0198
Loa Loa (eye worm) glutamate receptor 0.0039 0.0451 0.0449
Schistosoma mansoni ran 0.0021 0.0177 0.0279
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0177 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0289 0.0287
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0115 0.011
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0538 0.0536
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.1698 1
Entamoeba histolytica hypothetical protein 0.0023 0.0209 1
Schistosoma mansoni cpg binding protein 0.0031 0.0333 0.0532
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0538 0.0869
Schistosoma mansoni hypothetical protein 0.0011 0.0038 0.0053
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.025 0.2855
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0003
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.025 0.0136
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0177 0.0172
Schistosoma mansoni hypothetical protein 0.0073 0.0969 0.1563
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.025 0.0245
Echinococcus multilocularis ferritin 0.0017 0.0127 0.0203
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0538 0.0865
Echinococcus granulosus importin subunit beta 1 0.0028 0.0289 0.0466
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0115 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.148 0.148
Onchocerca volvulus 0.0029 0.0308 0.0509
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0115 0.011
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0376 0.0606
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0017 0.0127 0.0072
Loa Loa (eye worm) hypothetical protein 0.0034 0.0376 0.0374
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0538 0.0869
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.025 0.2855
Schistosoma mansoni ferritin light chain 0.0017 0.0127 0.0198
Brugia malayi Thioredoxin reductase 0.0048 0.0588 0.0588
Trichomonas vaginalis ferritin, putative 0.0017 0.0127 0.1222
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0009 0.0005 0.0005
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.025 0.2855
Echinococcus multilocularis tyrosine kinase 0.0009 0.0005 0.0005
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.1514 0.8837
Brugia malayi glutathione reductase 0.0048 0.0588 0.0588
Loa Loa (eye worm) hypothetical protein 0.0025 0.0247 0.0245
Plasmodium falciparum thioredoxin reductase 0.0048 0.0588 1
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0009 0.0005 0.0003
Schistosoma mansoni ferritin 0.0017 0.0127 0.0198
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.1514 0.8837
Echinococcus multilocularis cpg binding protein 0.0031 0.0333 0.0537
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0404 0.595 0.5949
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0115 0.011

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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