Detailed information for compound 1859753

Basic information

Technical information
  • TDR Targets ID: 1859753
  • Name: 4-[5-[(E)-[(2-morpholin-4-ylacetyl)hydrazinyl idene]methyl]furan-2-yl]benzoic acid
  • MW: 357.361 | Formula: C18H19N3O5
  • H donors: 2 H acceptors: 3 LogP: -0.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1CCOCC1)N/N=C/c1ccc(o1)c1ccc(cc1)C(=O)O
  • InChi: 1S/C18H19N3O5/c22-17(12-21-7-9-25-10-8-21)20-19-11-15-5-6-16(26-15)13-1-3-14(4-2-13)18(23)24/h1-6,11H,7-10,12H2,(H,20,22)(H,23,24)/b19-11+
  • InChiKey: PMTODVMNYIZRJS-YBFXNURJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[5-[[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
  • 4-[5-[(E)-[(2-morpholinoacetyl)hydrazono]methyl]-2-furyl]benzoic acid
  • 4-[5-[[(2-morpholinoacetyl)hydrazono]methyl]-2-furyl]benzoic acid
  • 4-[5-[(E)-[(2-morpholino-1-oxoethyl)hydrazono]methyl]-2-furyl]benzoic acid
  • 4-[5-[[(2-morpholino-1-oxoethyl)hydrazono]methyl]-2-furyl]benzoic acid
  • 4-[5-[(E)-(2-morpholin-4-ylethanoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
  • 4-[5-[(2-morpholin-4-ylethanoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
  • STOCK2S-63127
  • 4-{5-[(2-Morpholin-4-yl-acetyl)-hydrazonomethyl]-furan-2-yl}-benzoic acid
  • MLS000777014
  • SMR000413475
  • 4-[5-[(E)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
  • 4-[5-[(E)-[(2-morpholin-4-ium-4-ylacetyl)hydrazono]methyl]-2-furyl]benzoate
  • 4-[5-[(E)-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]hydrazono]methyl]-2-furyl]benzoate
  • 4-[5-[(E)-(2-morpholin-4-ium-4-ylethanoylhydrazinylidene)methyl]furan-2-yl]benzoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0446 0.1689
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0123 0.6948 0.8837
Schistosoma mansoni hypothetical protein 0.0041 0.1855 0.1855
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0473 0.057
Plasmodium falciparum glutathione reductase 0.0054 0.2643 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0136 0.7804 1
Toxoplasma gondii thioredoxin reductase 0.0054 0.2643 1
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.2643 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0446 0.5
Treponema pallidum NADH oxidase 0.0019 0.0446 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0473 0.1789
Schistosoma mansoni hypothetical protein 0.0019 0.0473 0.0473
Brugia malayi glutathione reductase 0.0054 0.2643 0.3185
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.2643 0.3185
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0473 0.1789
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0123 0.6948 0.8837
Loa Loa (eye worm) hypothetical protein 0.006 0.3046 0.3671
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0446 0.1689
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0446 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0446 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.8297 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0123 0.6948 0.8837
Onchocerca volvulus Bile acid receptor homolog 0.0011 0 0.5
Loa Loa (eye worm) glutathione reductase 0.0054 0.2643 0.3185
Plasmodium vivax glutathione reductase, putative 0.0054 0.2643 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0446 0.0446
Mycobacterium tuberculosis Probable oxidoreductase 0.0136 0.7804 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.2643 0.2985
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0123 0.6948 0.8837
Plasmodium falciparum thioredoxin reductase 0.0054 0.2643 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0446 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.8297 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3046 0.3671
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0136 0.7804 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0473 0.057
Schistosoma mansoni hypothetical protein 0.0019 0.0473 0.0473
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0473 0.057
Onchocerca volvulus 0.0011 0 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0473 0.0473
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3046 0.3671
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3046 0.3671
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.2643 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0446 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.2643 1
Leishmania major trypanothione reductase 0.0054 0.2643 1
Echinococcus granulosus GPCR family 2 0.0019 0.0473 0.1789
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0473 0.1789
Schistosoma mansoni hypothetical protein 0.0019 0.0473 0.0473
Loa Loa (eye worm) hypothetical protein 0.0041 0.1855 0.2236
Brugia malayi MH2 domain containing protein 0.0144 0.8297 1
Trypanosoma brucei trypanothione reductase 0.0054 0.2643 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0446 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0446 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0473 0.057
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0446 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0 0.5
Brugia malayi Thioredoxin reductase 0.0054 0.2643 0.3185
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0137 0.0165
Echinococcus multilocularis GPCR, family 2 0.0019 0.0473 0.1789
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0136 0.7804 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0446 0.5
Mycobacterium tuberculosis Probable reductase 0.0123 0.6948 0.8837
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1855 0.2236
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0123 0.6948 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.2643 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0446 0.0538
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0137 0.0165
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0473 0.1789

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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 (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 44.5625 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Confirmation Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485290, AID485312, AID504464, AID504474] 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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