Detailed information for compound 1197536

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 472.45 | Formula: C25H20N4O6
  • H donors: 3 H acceptors: 6 LogP: 4.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(Cn1nc(cc1C(=O)O)c1cccc(c1)[N+](=O)[O-])COc1cccc2c1c1ccccc1[nH]2
  • InChi: 1S/C25H20N4O6/c30-17(14-35-23-10-4-9-20-24(23)18-7-1-2-8-19(18)26-20)13-28-22(25(31)32)12-21(27-28)15-5-3-6-16(11-15)29(33)34/h1-12,17,26,30H,13-14H2,(H,31,32)
  • InChiKey: IJADQMRMZYBTRL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0622 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0035 0.0559 0.1212
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0035 0.0559 0.0167
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0144 0.3955 0.4983
Echinococcus multilocularis tar DNA binding protein 0.0076 0.183 0.1483
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.027 0.0334
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0622 0.0185
Echinococcus granulosus thioredoxin glutathione reductase 0.0102 0.263 0.2317
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0559 0.0769
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0593 0.0132
Schistosoma mansoni lamin 0.0032 0.0458 0.0056
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0559 0.1212
Mycobacterium tuberculosis Conserved protein 0.0036 0.0593 0.0132
Brugia malayi beta-lactamase family protein 0.0036 0.0593 0.0733
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0593 0.5392
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0458 0.0566
Loa Loa (eye worm) RNA binding protein 0.0076 0.183 0.2261
Schistosoma mansoni tar DNA-binding protein 0.0076 0.183 0.1564
Echinococcus granulosus short transient receptor potential channel 6 0.0066 0.1522 0.1162
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0593 0.0204
Loa Loa (eye worm) hypothetical protein 0.0036 0.0593 0.0733
Brugia malayi beta-lactamase 0.0036 0.0593 0.0733
Mycobacterium ulcerans aldehyde dehydrogenase 0.0144 0.3955 1
Toxoplasma gondii NADPH-glutathione reductase 0.0035 0.0559 0.0769
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0593 0.0733
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0593 0.5392
Mycobacterium ulcerans hypothetical protein 0.0036 0.0593 0.01
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.3219 0.3976
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0593 0.0194
Trypanosoma cruzi trypanothione reductase, putative 0.0035 0.0559 0.1212
Brugia malayi glutathione reductase 0.0101 0.2611 0.3225
Plasmodium vivax hypothetical protein, conserved 0.003 0.0407 0.0562
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0593 0.1357
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0593 0.5392
Echinococcus granulosus transient receptor potential gamma protein 0.01 0.2571 0.2256
Onchocerca volvulus 0.0036 0.0593 0.307
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0035 0.0559 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0604 0.0205
Loa Loa (eye worm) hypothetical protein 0.0036 0.0593 0.0733
Echinococcus granulosus geminin 0.0203 0.5782 0.5603
Plasmodium vivax thioredoxin reductase, putative 0.0101 0.2611 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0593 0.01
Echinococcus multilocularis tumor protein p63 0.0339 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0593 0.0194
Onchocerca volvulus 0.0032 0.0458 0.0842
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0593 0.1357
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0622 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0521 0.0643
Echinococcus granulosus short transient receptor potential channel 6 0.0066 0.1522 0.1162
Toxoplasma gondii aldehyde dehydrogenase 0.0144 0.3955 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.023 0.6633 0.8847
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0593 0.5392
Mycobacterium ulcerans aldehyde dehydrogenase 0.0144 0.3955 1
Schistosoma mansoni intermediate filament proteins 0.0032 0.0458 0.0056
Schistosoma mansoni aldehyde dehydrogenase 0.0144 0.3955 0.3901
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0256 0.7432 1
Schistosoma mansoni transient receptor potential channel 0.0066 0.1522 0.1225
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0622 0.1481
Loa Loa (eye worm) hypothetical protein 0.0026 0.0276 0.0341
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0035 0.0559 0.0158
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0593 0.1357
Loa Loa (eye worm) hypothetical protein 0.003 0.0407 0.0503
Echinococcus multilocularis transient receptor potential gamma protein 0.01 0.2571 0.2256
Onchocerca volvulus 0.0032 0.0458 0.0842
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.2537 0.222
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.023 0.6633 0.8847
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0593 0.0132
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0035 0.0559 0.0691
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0559 0.1212
Echinococcus granulosus TRP transient receptor potential channel 0.0037 0.0624 0.0226
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0037 0.0624 0.0226
Onchocerca volvulus 0.0036 0.0593 0.307
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.3219 0.3976
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0559 0.1212
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0593 0.0204
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0035 0.0559 0.0158
Plasmodium falciparum glutathione reductase 0.0035 0.0559 0.1212
Loa Loa (eye worm) hypothetical protein 0.0052 0.1076 0.1329
Brugia malayi Bromodomain containing protein 0.003 0.0407 0.0503
Plasmodium falciparum thioredoxin reductase 0.0101 0.2611 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0256 0.7432 1
Schistosoma mansoni hypothetical protein 0.0203 0.5782 0.5909
Loa Loa (eye worm) hypothetical protein 0.0036 0.0593 0.0733
Echinococcus multilocularis thioredoxin glutathione reductase 0.0102 0.263 0.2317
Toxoplasma gondii thioredoxin reductase 0.0101 0.2611 0.6346
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0604 0.0217
Echinococcus granulosus lamin 0.0032 0.0458 0.0053
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.023 0.6633 0.8847
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0407 0.0356
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0593 0.0132
Loa Loa (eye worm) hypothetical protein 0.0032 0.0458 0.0566
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0144 0.3955 0.3698
Trichomonas vaginalis esterase, putative 0.0036 0.0593 0.5392
Loa Loa (eye worm) hypothetical protein 0.0036 0.0593 0.0733
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0593 0.0733
Loa Loa (eye worm) beta-lactamase 0.0036 0.0593 0.0733
Loa Loa (eye worm) hypothetical protein 0.0036 0.0593 0.0733
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.183 0.2261
Echinococcus granulosus tar DNA binding protein 0.0076 0.183 0.1483
Schistosoma mansoni cellular tumor antigen P53 0.005 0.1012 0.0665
Loa Loa (eye worm) hypothetical protein 0.005 0.1012 0.125
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0559 0.1212
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0559 0.1212
Echinococcus multilocularis geminin 0.0203 0.5782 0.5603
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0035 0.0559 0.1212
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0559 0.1212
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0035 0.0559 0.1212
Loa Loa (eye worm) glutathione reductase 0.0101 0.2611 0.3225
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.183 0.2261
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0559 0.1212
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0604 0.0205
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0035 0.0559 0.0769
Brugia malayi RNA binding protein 0.0076 0.183 0.2261
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0035 0.0559 0.0083
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0593 0.5392
Brugia malayi follicle stimulating hormone receptor 0.0277 0.8097 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0622 0.094
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0622 0.1481
Echinococcus multilocularis transient receptor potential ion channel A 0.0096 0.2468 0.2148
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0622 1
Plasmodium falciparum glutathione reductase 0.0101 0.2611 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.183 0.1564
Brugia malayi Inositol-1 0.0037 0.0622 0.0768
Echinococcus multilocularis short transient receptor potential channel 6 0.0066 0.1522 0.1162
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0774 0.0382
Brugia malayi Thioredoxin reductase 0.0101 0.2611 0.3225
Schistosoma mansoni tar DNA-binding protein 0.0076 0.183 0.1564
Mycobacterium tuberculosis Probable dehydrogenase 0.023 0.6633 0.8847
Brugia malayi PHD-finger family protein 0.003 0.0407 0.0503
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0101 0.2611 0.3043
Mycobacterium tuberculosis Probable oxidoreductase 0.0256 0.7432 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0622 0.1481
Echinococcus multilocularis musashi 0.0032 0.0458 0.0053
Schistosoma mansoni transient receptor potential channel 0.01 0.2571 0.2379
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0622 0.0224
Mycobacterium tuberculosis Putative ferredoxin reductase 0.023 0.6633 0.8847
Mycobacterium ulcerans beta-lactamase 0.0036 0.0593 0.01
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0593 0.0132
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0593 0.0132
Brugia malayi MH2 domain containing protein 0.012 0.3219 0.3976
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0593 0.0132
Plasmodium falciparum thioredoxin reductase 0.0035 0.0559 0.1212
Treponema pallidum NADH oxidase 0.0035 0.0559 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.0593 0.0733
Mycobacterium tuberculosis Conserved protein 0.0036 0.0593 0.0132
Echinococcus multilocularis short transient receptor potential channel 6 0.0066 0.1522 0.1162
Brugia malayi Transient-receptor-potential like protein 0.0037 0.0624 0.0771
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0407 0.0503
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0559 0.0769
Mycobacterium ulcerans lipase LipD 0.0036 0.0593 0.01
Plasmodium falciparum phd finger protein, putative 0.003 0.0407 0.0562
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0622 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.183 0.2261
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0622 0.0224
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0035 0.0559 0.1212
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0593 0.0132
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0559 0.1212
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0622 0.094
Loa Loa (eye worm) thioredoxin reductase 0.0101 0.2611 0.3225
Brugia malayi hypothetical protein 0.0026 0.0276 0.0341
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0604 0.0746
Trypanosoma cruzi trypanothione reductase, putative 0.0101 0.2611 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0593 0.1357
Loa Loa (eye worm) hypothetical protein 0.0063 0.1418 0.1752
Echinococcus multilocularis lamin dm0 0.0032 0.0458 0.0053
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.2537 0.222
Echinococcus granulosus transient receptor potential ion channel A 0.0096 0.2468 0.2148
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0035 0.0559 0.0769
Mycobacterium tuberculosis Conserved protein 0.0036 0.0593 0.0132
Loa Loa (eye worm) hypothetical protein 0.0037 0.0624 0.0771
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0774 0.0382
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0144 0.3955 0.3698
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0256 0.7432 1
Brugia malayi jmjC domain containing protein 0.0099 0.2537 0.3134
Schistosoma mansoni inositol monophosphatase 0.0037 0.0622 0.0236
Echinococcus granulosus lamin dm0 0.0032 0.0458 0.0053
Schistosoma mansoni transient receptor potential channel 4 0.01 0.2571 0.2379
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0604 0.0217
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0559 0.1212
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0277 0.8097 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.027 0.0334
Schistosoma mansoni jumonji domain containing protein 0.0078 0.1907 0.1649
Brugia malayi intermediate filament protein 0.0032 0.0458 0.0566
Giardia lamblia NADH oxidase lateral transfer candidate 0.0035 0.0559 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0622 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.6639 0.8856
Loa Loa (eye worm) hypothetical protein 0.0036 0.0593 0.0733
Leishmania major trypanothione reductase 0.0101 0.2611 0.6346
Brugia malayi jmjC domain containing protein 0.0036 0.0604 0.0746
Brugia malayi TAR-binding protein 0.0076 0.183 0.2261
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0035 0.0559 0.1212
Mycobacterium leprae Probable lipase LipE 0.0036 0.0593 0.0132
Echinococcus multilocularis lamin 0.0032 0.0458 0.0053
Schistosoma mansoni inositol monophosphatase 0.0037 0.0622 0.0236
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1404 0.1734
Schistosoma mansoni hypothetical protein 0.0203 0.5782 0.5909
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0035 0.0559 0.1212
Schistosoma mansoni lamin 0.0032 0.0458 0.0056
Schistosoma mansoni aldehyde dehydrogenase 0.0144 0.3955 0.3901
Mycobacterium ulcerans aldehyde dehydrogenase 0.0144 0.3955 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0559 0.1212
Loa Loa (eye worm) hypothetical protein 0.0031 0.044 0.0544
Onchocerca volvulus 0.0036 0.0593 0.307
Trypanosoma brucei trypanothione reductase 0.0101 0.2611 1
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0458 0.0566
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0593 0.0132
Loa Loa (eye worm) hypothetical protein 0.01 0.2571 0.3176
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0407 0.0356
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.023 0.6633 0.8847
Echinococcus granulosus intermediate filament protein 0.0032 0.0458 0.0053
Toxoplasma gondii ABC1 family protein 0.0036 0.0593 0.0861
Leishmania major hypothetical protein, conserved 0.0036 0.0593 0.0861
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0144 0.3955 1
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0593 0.01
Onchocerca volvulus 0.005 0.1012 1
Loa Loa (eye worm) inositol-1 0.0037 0.0622 0.0768
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0035 0.0559 0.0769
Schistosoma mansoni transient receptor potential channel 0.0066 0.1522 0.1225
Mycobacterium tuberculosis Probable reductase 0.023 0.6633 0.8847
Plasmodium vivax glutathione reductase, putative 0.0101 0.2611 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.183 0.1564
Schistosoma mansoni tar DNA-binding protein 0.0076 0.183 0.1564
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0458 0.0566

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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.