Detailed information for compound 778592

Basic information

Technical information
  • TDR Targets ID: 778592
  • Name: N-[2-[(2E)-2-[(4-dimethylaminophenyl)methylid ene]hydrazinyl]-2-oxoethyl]furan-2-carboxamid e
  • MW: 314.339 | Formula: C16H18N4O3
  • H donors: 2 H acceptors: 2 LogP: 1.7 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(cc1)N(C)C
  • InChi: 1S/C16H18N4O3/c1-20(2)13-7-5-12(6-8-13)10-18-19-15(21)11-17-16(22)14-4-3-9-23-14/h3-10H,11H2,1-2H3,(H,17,22)(H,19,21)/b18-10+
  • InChiKey: QCFVUGDGCMBHAM-VCHYOVAHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
  • N-[2-[(N'E)-N'-[(4-dimethylaminophenyl)methylene]hydrazino]-2-oxo-ethyl]furan-2-carboxamide
  • N-[2-[N'-[(4-dimethylaminophenyl)methylene]hydrazino]-2-oxo-ethyl]furan-2-carboxamide
  • N-[2-[(N'E)-N'-[(4-dimethylaminophenyl)methylene]hydrazino]-2-oxoethyl]-2-furancarboxamide
  • N-[2-[N'-[(4-dimethylaminophenyl)methylene]hydrazino]-2-oxoethyl]-2-furancarboxamide
  • N-[2-[N'-(4-dimethylaminobenzylidene)hydrazino]-2-keto-ethyl]-2-furamide
  • N-[2-[(N'E)-N'-(4-dimethylaminobenzylidene)hydrazino]-2-keto-ethyl]-2-furamide
  • N-[2-[2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-2-oxo-ethyl]furan-2-carboxamide
  • N-[2-[(2E)-2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-2-oxo-ethyl]furan-2-carboxamide
  • MLS000727932
  • N-(2-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazino}-2-oxoethyl)-2-furamide
  • SMR000306626
  • A0460/0021260

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Saccharomyces cerevisiae Rce1p Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens Ras converting CAAX endopeptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus granulosus CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania donovani CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K08658 prenyl protein peptidase, putative Get druggable targets OG5_129169 All targets in OG5_129169
Entamoeba histolytica CAAX prenyl protease family Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi CAAX amino terminal protease family protein Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum expressed protein Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48), putative Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like Get druggable targets OG5_129169 All targets in OG5_129169
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania infantum CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma cruzi CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania mexicana CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma congolense CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Giardia lamblia Hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Brugia malayi hypothetical protein Ras converting CAAX endopeptidase 1 225 aa 181 aa 21.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica CAAX prenyl protease family 0.0221 0.7322 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0046 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.6298 0.1555
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.6298 0.6093
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0046 0 0.5
Mycobacterium ulcerans integral membrane protein 0.0046 0 0.5
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0221 0.7322 0.5
Mycobacterium ulcerans hypothetical protein 0.0046 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6298 0.1555
Mycobacterium ulcerans hypothetical protein 0.0046 0 0.5
Onchocerca volvulus 0.0114 0.284 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.7322 0.3891
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0221 0.7322 0.5
Treponema pallidum hypothetical protein 0.0046 0 0.5
Echinococcus multilocularis CAAX prenyl protease 2 0.0221 0.7322 0.3891
Trypanosoma brucei CAAX amino terminal protease, putative 0.0221 0.7322 0.5
Giardia lamblia Hypothetical protein 0.0221 0.7322 0.5
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0221 0.7322 0.5
Mycobacterium tuberculosis Probable integral membrane protein 0.0046 0 0.5
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0221 0.7322 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Echinococcus granulosus CAAX prenyl protease 2 0.0221 0.7322 0.3891
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0221 0.7322 1
Toxoplasma gondii hypothetical protein 0.0046 0 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Chlamydia trachomatis hypothetical protein 0.0046 0 0.5
Plasmodium falciparum protease, putative 0.0046 0 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Toxoplasma gondii CAAX amino terminal protease family protein 0.0046 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.5156 0.6814
Brugia malayi Muscleblind-like protein 0.018 0.5616 0.5373
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0046 0 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.6298 0.1555
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0221 0.7322 1
Toxoplasma gondii hypothetical protein 0.0046 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.5156 0.6814
Brugia malayi CAAX amino terminal protease family protein 0.0221 0.7322 0.7173
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6298 0.1555
Plasmodium vivax protease, putative 0.0046 0 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 5.17 uM PUBCHEM_BIOASSAY: Human Ras-Converting Enzyme Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
AC50 (binding) = 7.988 uM PUBCHEM_BIOASSAY: Ras-converting Enzyme/Cell Proliferation Pathway Measured in Biochemical System Using Plate Reader - 2034-01_Inhibitor_Dose_CherryPick. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
Potency (functional) 0.0657 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 22.3872 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 70.7946 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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