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