Detailed information for compound 1617416

Basic information

Technical information
  • TDR Targets ID: 1617416
  • Name: N-[1-(4-ethoxyphenyl)ethylideneamino]-2-metho xy-2-phenylacetamide
  • MW: 326.39 | Formula: C19H22N2O3
  • H donors: 1 H acceptors: 1 LogP: 3.31 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)/C(=N/NC(=O)C(c1ccccc1)OC)/C
  • InChi: 1S/C19H22N2O3/c1-4-24-17-12-10-15(11-13-17)14(2)20-21-19(22)18(23-3)16-8-6-5-7-9-16/h5-13,18H,4H2,1-3H3,(H,21,22)/b20-14+
  • InChiKey: JULIPSHVXUHMQO-XSFVSMFZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenyl-acetamide
  • N-[1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenyl-ethanamide
  • BAS 00522674
  • Methoxy-phenyl-acetic acid [1-(4-ethoxy-phenyl)-ethylidene]-hydrazide
  • MLS000688365
  • SMR000283795

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
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
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0226 0.1041 0.1041
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0226 0.1041 0.2905
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0226 0.1041 0.2905
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0226 0.1041 0.1041
Loa Loa (eye worm) hypothetical protein 0.0218 0.0993 0.103
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0635 0.3584 0.5922
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0226 0.1041 0.2905
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1608 0.9637 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0635 0.3584 0.5922
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0284 0.1404 0.5
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0226 0.1041 0.2905
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0143 0.0529 0.1476
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0226 0.1041 0.1041
Trypanosoma brucei unspecified product 0.0417 0.2232 0.2232
Echinococcus multilocularis microtubule associated protein 2 0.0751 0.4306 0.4306
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0143 0.0529 0.0874
Toxoplasma gondii carbamoylphosphate synthetase 0.0143 0.0529 0.0529
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0226 0.1041 0.172
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0635 0.3584 0.3584
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0143 0.0529 0.0742
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0143 0.0529 0.0529
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0226 0.1041 0.1041
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0226 0.1041 0.3233
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0635 0.3584 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0226 0.1041 0.172
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1206 0.7136 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0635 0.3584 0.3584
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0635 0.3584 1
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0226 0.1041 0.2905
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0635 0.3584 1
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0143 0.0529 0.1476
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0635 0.3584 0.3584
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1206 0.7136 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0143 0.0529 0.0529
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0143 0.0529 0.0529
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.0993 0.5
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0226 0.1041 0.2905
Leishmania major carbamoyl-phosphate synthase, putative 0.0143 0.0529 0.0529
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0635 0.3584 0.3584
Leishmania major carboxylase, putative 0.0635 0.3584 0.3584
Trypanosoma cruzi acetyl-CoA carboxylase 0.1032 0.6053 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0226 0.1041 0.2905
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0635 0.3584 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0226 0.1041 0.2905
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0635 0.3584 1
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0226 0.1041 0.1041
Chlamydia trachomatis biotin carboxylase 0.0576 0.3221 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0226 0.1041 0.172
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0143 0.0529 0.0874
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0226 0.1041 0.2905
Schistosoma mansoni aspartate carbamoyltransferase 0.0143 0.0529 0.0529
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0635 0.3584 0.3584
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0226 0.1041 0.1041
Plasmodium falciparum carbamoyl phosphate synthetase 0.0143 0.0529 0.0742
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0284 0.1404 0.5
Schistosoma mansoni pyruvate carboxylase 0.0635 0.3584 0.3584
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0635 0.3584 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0635 0.3584 0.3584
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0635 0.3584 0.3584
Echinococcus granulosus microtubule associated protein 2 0.0751 0.4306 0.4306
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0226 0.1041 0.2905
Mycobacterium ulcerans pyruvate carboxylase 0.0635 0.3584 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0635 0.3584 1
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0226 0.1041 0.1041
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0226 0.1041 0.2905
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0226 0.1041 0.2905
Schistosoma mansoni microtubule-associated protein tau 0.0751 0.4306 0.4306
Toxoplasma gondii pyruvate carboxylase 0.0635 0.3584 0.3584
Brugia malayi Carboxyl transferase domain containing protein 0.1608 0.9637 1
Brugia malayi N-terminal motif family protein 0.0218 0.0993 0.103

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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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