Detailed information for compound 670843

Basic information

Technical information
  • TDR Targets ID: 670843
  • Name: [(2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylid ene)amino] 4-methoxybenzoate
  • MW: 285.295 | Formula: C16H15NO4
  • H donors: 0 H acceptors: 2 LogP: 2.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)O/N=C\1/C=C(C)C(=O)C=C1C
  • InChi: 1S/C16H15NO4/c1-10-9-15(18)11(2)8-14(10)17-21-16(19)12-4-6-13(20-3)7-5-12/h4-9H,1-3H3/b17-14+
  • InChiKey: KQNBSUTUFMUULE-SAPNQHFASA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methoxybenzoic acid [(2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester
  • 4-methoxybenzoic acid [(4-keto-2,5-dimethyl-1-cyclohexa-2,5-dienylidene)amino] ester
  • ZINC00102052

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
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0313 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2629 0.3399
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0313 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2429 0.2921
Plasmodium falciparum thioredoxin reductase 0.0047 0.254 1
Toxoplasma gondii thioredoxin reductase 0.0047 0.254 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.6906 0.8837
Loa Loa (eye worm) hypothetical protein 0.0033 0.1523 0.1713
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.6906 0.8837
Plasmodium vivax glutathione reductase, putative 0.0047 0.254 1
Treponema pallidum NADH oxidase 0.0016 0.0313 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0313 0.5
Leishmania major trypanothione reductase 0.0047 0.254 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0313 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0313 0.0076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2429 0.2244
Plasmodium falciparum glutathione reductase 0.0047 0.254 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.7736 1
Brugia malayi Thioredoxin reductase 0.0047 0.254 0.3284
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.254 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2629 0.3188
Loa Loa (eye worm) glutathione reductase 0.0047 0.254 0.3069
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.254 0.3069
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0313 0.0324
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2429 0.9517
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.7736 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2429 0.9517
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0239 0.0309
Brugia malayi glutathione reductase 0.0047 0.254 0.3284
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0313 0.0405
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.7773 1
Trypanosoma brucei trypanothione reductase 0.0047 0.254 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.254 0.2985
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.7773 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.254 1
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0313 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2429 0.2244
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.6906 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.7773 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0239 0.0309
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.254 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.7773 1
Brugia malayi MH2 domain containing protein 0.0119 0.7736 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.254 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0313 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2629 0.3399
Mycobacterium tuberculosis Probable reductase 0.0108 0.6906 0.8837
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0313 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2429 0.314
Schistosoma mansoni hypothetical protein 0.0033 0.1523 0.1315
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0313 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0313 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0313 0.0324
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2429 0.9517
Loa Loa (eye worm) hypothetical protein 0.0048 0.2629 0.3188
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.6906 0.8837
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2429 0.9517
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2429 0.2244
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.6906 0.8837
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1523 0.1969

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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