Detailed information for compound 647717

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.305 | Formula: C17H14N2O2
  • H donors: 2 H acceptors: 2 LogP: 2.35 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc(cc1)N=C(C1=C(O)c2c(C1=O)cccc2)C
  • InChi: 1S/C17H14N2O2/c1-10(19-12-8-6-11(18)7-9-12)15-16(20)13-4-2-3-5-14(13)17(15)21/h2-9,20H,18H2,1H3
  • InChiKey: PGBFABHYSXJOAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Loa Loa (eye worm) thioredoxin reductase 0.018 0.2733 0.7576
Plasmodium falciparum glutathione reductase 0.018 0.2733 1
Echinococcus granulosus expressed protein 0.0406 0.6916 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0062 0.057 0.5
Trypanosoma brucei trypanothione reductase 0.018 0.2733 1
Echinococcus granulosus geminin 0.0185 0.2824 0.4084
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1567 0.4319
Mycobacterium tuberculosis Putative ferredoxin reductase 0.041 0.6974 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.018 0.2733 1
Toxoplasma gondii NADPH-glutathione reductase 0.0062 0.057 0.2021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0341 0.0463
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0062 0.057 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0341 0.0891
Onchocerca volvulus 0.0258 0.4178 1
Brugia malayi Pre-SET motif family protein 0.0227 0.3601 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0181 0.2753 0.3961
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0062 0.057 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.041 0.6974 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0455 0.7817 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0341 0.032
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1567 0.4319
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0341 0.0891
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.041 0.6974 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0181 0.2753 0.3981
Echinococcus multilocularis expressed protein 0.0406 0.6916 1
Brugia malayi glutathione reductase 0.018 0.2733 0.7576
Toxoplasma gondii thioredoxin reductase 0.018 0.2733 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0341 0.0493
Loa Loa (eye worm) glutathione reductase 0.018 0.2733 0.7576
Giardia lamblia NADH oxidase lateral transfer candidate 0.0062 0.057 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.041 0.6974 0.8837
Treponema pallidum NADH oxidase 0.0062 0.057 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0062 0.057 0.1531
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0341 0.032
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0455 0.7817 1
Trichomonas vaginalis set domain proteins, putative 0.0258 0.4178 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0227 0.3601 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0022 0.0032
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0062 0.057 0.2021
Plasmodium vivax glutathione reductase, putative 0.018 0.2733 1
Schistosoma mansoni hypothetical protein 0.0185 0.2824 0.2808
Schistosoma mansoni hypothetical protein 0.0185 0.2824 0.2808
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0062 0.057 0.0795
Plasmodium vivax thioredoxin reductase, putative 0.018 0.2733 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0341 0.0493
Plasmodium falciparum thioredoxin reductase 0.018 0.2733 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0062 0.057 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0062 0.057 0.5
Echinococcus multilocularis geminin 0.0185 0.2824 0.4065
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0062 0.057 0.0824
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0341 0.0463
Brugia malayi MH2 domain containing protein 0.0116 0.1567 0.4319
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0455 0.7817 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0046 0.0265 0.068
Brugia malayi Thioredoxin reductase 0.018 0.2733 0.7576
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0062 0.057 0.2021
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0062 0.057 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0455 0.7817 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0062 0.057 0.2021
Mycobacterium tuberculosis Probable reductase 0.041 0.6974 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.018 0.2733 0.2985
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0062 0.057 0.0549
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.041 0.6974 0.8837
Leishmania major trypanothione reductase 0.018 0.2733 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0046 0.0265 0.068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0341 0.032

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.

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