Detailed information for compound 718621

Basic information

Technical information
  • TDR Targets ID: 718621
  • Name: 4-[(2,5-dimethoxyphenyl)amino]-2-(furan-2-ylm ethylamino)-4-oxobutanoic acid
  • MW: 348.351 | Formula: C17H20N2O6
  • H donors: 3 H acceptors: 3 LogP: -0.96 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CC(C(=O)O)NCc1ccco1)OC
  • InChi: 1S/C17H20N2O6/c1-23-11-5-6-15(24-2)13(8-11)19-16(20)9-14(17(21)22)18-10-12-4-3-7-25-12/h3-8,14,18H,9-10H2,1-2H3,(H,19,20)(H,21,22)
  • InChiKey: HBYWGNNJAHEIGE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2,5-dimethoxyphenyl)amino]-2-(2-furylmethylamino)-4-oxo-butanoic acid
  • 4-[(2,5-dimethoxyphenyl)amino]-2-(2-furylmethylamino)-4-oxobutanoic acid
  • 4-[(2,5-dimethoxyphenyl)amino]-2-(2-furylmethylamino)-4-keto-butyric acid
  • 4-[(2,5-dimethoxyphenyl)amino]-2-(furan-2-ylmethylamino)-4-oxo-butanoic acid
  • 4-[(2,5-dimethoxyphenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
  • 4-[(2,5-dimethoxyphenyl)amino]-2-(2-furylmethylammonio)-4-oxo-butanoate
  • 4-[(2,5-dimethoxyphenyl)amino]-2-(2-furylmethylammonio)-4-oxobutanoate
  • 4-[(2,5-dimethoxyphenyl)amino]-2-(2-furylmethylammonio)-4-keto-butyrate
  • 4-[(2,5-dimethoxyphenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxo-butanoate

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 pyruvate-flavodoxin oxidoreductase, putative 0.0047 0.0584 0.5
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0047 0.0584 0.5
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0073 0.144 0.3425
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0105 0.2542 0.5
Mycobacterium ulcerans acetolactate synthase 0.0186 0.5286 0.4994
Plasmodium vivax acyl-CoA synthetase, putative 0.0186 0.5286 0.5
Schistosoma mansoni hypothetical protein 0.0124 0.3185 0.3793
Echinococcus multilocularis thyroid hormone receptor alpha 0.0154 0.4204 1
Mycobacterium ulcerans hypothetical protein 0.0105 0.2542 0.208
Onchocerca volvulus 0.003 0 0.5
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0105 0.2542 0.5
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0105 0.2542 0.5
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0047 0.0584 0.5
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0325 1 1
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0186 0.5286 1
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0139 0.3694 0.3304
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0186 0.5286 0.4994
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0325 1 1
Loa Loa (eye worm) ILVBL protein 0.0197 0.5653 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0047 0.0584 0.5
Schistosoma mansoni thyroid hormone receptor 0.0154 0.4204 0.5006
Schistosoma mansoni acetolactate synthase 0.0278 0.8397 1
Onchocerca volvulus Bile acid receptor homolog 0.003 0 0.5
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0187 0.5297 0.9371
Schistosoma mansoni thyroid hormone receptor 0.0154 0.4204 0.5006
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0325 1 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0073 0.144 0.4521
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0058 0.0939 0.0378
Mycobacterium ulcerans hypothetical protein 0.0325 1 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0105 0.2542 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0 0.5
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0325 1 1
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0047 0.0584 0.5
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0325 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.3185 0.7575
Treponema pallidum pyruvate oxidoreductase 0.0047 0.0584 0.5
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0325 1 1
Plasmodium falciparum acyl-CoA synthetase 0.0186 0.5286 0.5
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0047 0.0584 0.5
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0047 0.0584 0.5
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0186 0.5286 0.4994
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0047 0.0584 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.3185 1
Schistosoma mansoni acetolactate synthase 0.0278 0.8397 1

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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