Detailed information for compound 1292118

Basic information

Technical information
  • TDR Targets ID: 1292118
  • Name: N-(4-ethoxyphenyl)-4-(2-(furan-2-carbonyl)hyd razinyl)-4-oxobutanamide
  • MW: 345.35 | Formula: C17H19N3O5
  • H donors: 3 H acceptors: 3 LogP: 1.18 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)CCC(=O)NNC(=O)c1ccco1
  • InChi: 1S/C17H19N3O5/c1-2-24-13-7-5-12(6-8-13)18-15(21)9-10-16(22)19-20-17(23)14-4-3-11-25-14/h3-8,11H,2,9-10H2,1H3,(H,18,21)(H,19,22)(H,20,23)
  • InChiKey: SIORQOINYJRIRP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-ethoxyphenyl)-4-(N'-(furan-2-carbonyl)hydrazino)-4-oxo-butanamide
  • N-(4-ethoxyphenyl)-4-[N'-(2-furyl-oxomethyl)hydrazino]-4-oxobutanamide
  • N-(4-ethoxyphenyl)-4-(N'-(furan-2-carbonyl)hydrazino)-4-keto-butyramide
  • N-(4-ethoxyphenyl)-4-(2-furan-2-ylcarbonylhydrazinyl)-4-oxo-butanamide
  • ZINC04590384
  • AN-329/40688349
  • BAS 03077284
  • N-(4-Ethoxy-phenyl)-4-[N'-(furan-2-carbonyl)-hydrazino]-4-oxo-butyramide
  • MLS000718177
  • SMR000279945
  • ST039685
  • ARONIS000537

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus geminin 0.0169 0.081 0.1849
Schistosoma mansoni Smad4 0.0067 0.0119 0.0095
Echinococcus multilocularis GPCR, family 2 0.048 0.2931 0.6686
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.048 0.2931 0.6686
Schistosoma mansoni tar DNA-binding protein 0.0516 0.3177 0.4678
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0179 0.0185
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0067 0.0119 0.0272
Brugia malayi N-terminal motif family protein 0.0959 0.62 0.6154
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0693 0.4384 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0179 0.0061
Echinococcus multilocularis Smad4 0.0067 0.0119 0.0272
Schistosoma mansoni hypothetical protein 0.048 0.2931 0.4309
Brugia malayi Isocitrate dehydrogenase 0.0081 0.0211 0.0093
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.048 0.2931 0.2846
Plasmodium falciparum ataxin-2 like protein, putative 0.013 0.0544 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0081 0.0211 0.0481
Echinococcus multilocularis smad 0.0067 0.0119 0.0272
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0179 0.0526
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0081 0.0211 0.0481
Loa Loa (eye worm) hypothetical protein 0.1036 0.6728 0.6689
Schistosoma mansoni smad1 5 8 and 0.0067 0.0119 0.0095
Leishmania major hypothetical protein, conserved 0.0212 0.1103 1
Schistosoma mansoni smad1 5 8 and 0.0067 0.0119 0.0095
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0179 0.5
Brugia malayi MH2 domain containing protein 0.099 0.6413 0.637
Schistosoma mansoni hypothetical protein 0.1036 0.6728 1
Echinococcus granulosus tar DNA binding protein 0.0516 0.3177 0.7248
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0159 0.0363
Schistosoma mansoni tar DNA-binding protein 0.0516 0.3177 0.4678
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0179 1
Brugia malayi hypothetical protein 0.013 0.0544 0.043
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0159 0.0155
Brugia malayi RNA binding protein 0.0516 0.3177 0.3095
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0058 0.0056 0.0127
Toxoplasma gondii LsmAD domain-containing protein 0.013 0.0544 1
Brugia malayi latrophilin 2 splice variant baaae 0.1036 0.6728 0.6689
Schistosoma mansoni hypothetical protein 0.0169 0.081 0.1131
Loa Loa (eye worm) RNA binding protein 0.0516 0.3177 0.3095
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0159 0.0363
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0179 0.0149
Mycobacterium ulcerans glutaminase 0.0272 0.1514 1
Schistosoma mansoni tar DNA-binding protein 0.0516 0.3177 0.4678
Loa Loa (eye worm) hypothetical protein 0.0959 0.62 0.6154
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.048 0.2931 0.6686
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0179 0.0409
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0081 0.0211 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0159 0.7539
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0693 0.4384 0.6486
Loa Loa (eye worm) hypothetical protein 0.048 0.2931 0.2846
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0693 0.4384 0.4316
Schistosoma mansoni smad 0.0067 0.0119 0.0095
Schistosoma mansoni hypothetical protein 0.048 0.2931 0.4309
Brugia malayi RNA recognition motif domain containing protein 0.0516 0.3177 0.3095
Echinococcus multilocularis tar DNA binding protein 0.0516 0.3177 0.7248
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0179 0.5
Brugia malayi TAR-binding protein 0.0516 0.3177 0.3095
Trypanosoma brucei hypothetical protein, conserved 0.0212 0.1103 1
Toxoplasma gondii isocitrate dehydrogenase 0.0081 0.0211 0.1351
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.1103 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0081 0.0211 0.0093
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0693 0.4384 0.4316
Loa Loa (eye worm) glutaminase 0.0272 0.1514 0.1412
Leishmania major hypothetical protein, conserved 0.013 0.0544 0.4075
Trypanosoma cruzi PAB1-binding protein , putative 0.013 0.0544 0.373
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.048 0.2931 0.6686
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0693 0.4384 1
Schistosoma mansoni hypothetical protein 0.048 0.2931 0.4309
Brugia malayi Probable ClpP-like protease 0.0076 0.0179 0.0061
Loa Loa (eye worm) latrophilin receptor protein 2 0.048 0.2931 0.2846
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0179 0.0409
Plasmodium falciparum ataxin-2 like protein, putative 0.013 0.0544 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0693 0.4384 0.6486
Echinococcus granulosus Smad4 0.0067 0.0119 0.0272
Plasmodium vivax ataxin-2 like protein, putative 0.013 0.0544 1
Brugia malayi hypothetical protein 0.0479 0.2928 0.2843
Trypanosoma brucei PAB1-binding protein , putative 0.013 0.0544 0.373
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.1103 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0081 0.0211 0.0481
Schistosoma mansoni hypothetical protein 0.048 0.2931 0.4309
Brugia malayi hypothetical protein 0.0084 0.023 0.0112
Echinococcus multilocularis mothers against decapentaplegic 5 0.0067 0.0119 0.0272
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0081 0.0211 0.0481
Echinococcus granulosus GPCR family 2 0.048 0.2931 0.6686
Echinococcus granulosus TGF beta signal transducer SmadC 0.0067 0.0119 0.0272
Schistosoma mansoni tar DNA-binding protein 0.0516 0.3177 0.4678
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0081 0.0211 0.0481
Schistosoma mansoni hypothetical protein 0.0169 0.081 0.1131
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0081 0.0211 0.087
Loa Loa (eye worm) transcription factor SMAD2 0.099 0.6413 0.637
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0693 0.4384 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0081 0.0211 0.0481
Brugia malayi isocitrate dehydrogenase 0.0081 0.0211 0.0093
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0959 0.62 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0516 0.3177 0.3095
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0179 0.0526
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0693 0.4384 1
Echinococcus granulosus smad 0.0067 0.0119 0.0272
Loa Loa (eye worm) glutaminase 2 0.0272 0.1514 0.1412
Brugia malayi Latrophilin receptor protein 2 0.048 0.2931 0.2846
Echinococcus multilocularis geminin 0.0169 0.081 0.1849
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0081 0.0211 0.0233
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0179 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0693 0.4384 0.6486
Schistosoma mansoni tar DNA-binding protein 0.0516 0.3177 0.4678
Brugia malayi glutaminase DH11.1 0.0272 0.1514 0.1412
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0081 0.0211 0.087
Schistosoma mansoni glutaminase 0.0272 0.1514 0.2186
Schistosoma mansoni smad1 5 8 and 0.0067 0.0119 0.0095
Loa Loa (eye worm) hypothetical protein 0.0479 0.2928 0.2843
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0179 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0067 0.0119 0.0095
Loa Loa (eye worm) hypothetical protein 0.013 0.0544 0.043
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.048 0.2931 0.6686
Toxoplasma gondii isocitrate dehydrogenase 0.0081 0.0211 0.1351
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0058 0.0056 0.0127
Trichomonas vaginalis glutaminase, putative 0.0272 0.1514 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.099 0.6413 0.637
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0179 0.0149
Echinococcus granulosus mothers against decapentaplegic 5 0.0067 0.0119 0.0272
Loa Loa (eye worm) TAR-binding protein 0.0516 0.3177 0.3095
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0159 0.0155
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0081 0.0211 0.055
Trypanosoma cruzi PAB1-binding protein , putative 0.013 0.0544 0.373

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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