Detailed information for compound 1456874

Basic information

Technical information
  • TDR Targets ID: 1456874
  • Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylp henyl)acetamide
  • MW: 313.391 | Formula: C19H23NO3
  • H donors: 1 H acceptors: 1 LogP: 3.4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCNC(=O)Cc2ccc(cc2)C)ccc1OC
  • InChi: 1S/C19H23NO3/c1-14-4-6-15(7-5-14)13-19(21)20-11-10-16-8-9-17(22-2)18(12-16)23-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
  • InChiKey: HXKPBTLIIXTNEU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)ethanamide
  • SMR000497737
  • ZINC00471785
  • MLS001164581

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1294 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2981 0.3446
Loa Loa (eye worm) RNA binding protein 0.0076 0.2981 0.2981
Echinococcus multilocularis acetylcholinesterase 0.0146 0.6988 0.8078
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0198 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.2193 0.262
Echinococcus granulosus acetylcholinesterase 0.0146 0.6988 0.8351
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1541 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2981 0.2981
Schistosoma mansoni hypothetical protein 0.0063 0.2193 0.2535
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2981 0.3446
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2981 0.3446
Echinococcus multilocularis GPCR, family 2 0.0063 0.2193 0.2535
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.8651 1
Echinococcus granulosus acetylcholinesterase 0.0146 0.6988 0.8351
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2981 0.3446
Onchocerca volvulus 0.0025 0 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0025 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.2193 0.2193
Onchocerca volvulus 0.0025 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.5331 0.5331
Brugia malayi Latrophilin receptor protein 2 0.0063 0.2193 0.2193
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0 0.5
Onchocerca volvulus 0.0025 0 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1294 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.8369 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2981 0.3446
Schistosoma mansoni hypothetical protein 0.0063 0.2193 0.2535
Schistosoma mansoni hypothetical protein 0.0063 0.2193 0.2535
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1541 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1294 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.2193 0.2535
Brugia malayi RNA binding protein 0.0076 0.2981 0.2981
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0146 0.6988 0.8078
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2981 0.2981
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.2193 0.2193
Echinococcus granulosus tar DNA binding protein 0.0076 0.2981 0.3562
Loa Loa (eye worm) carboxylesterase 0.0146 0.6988 0.6988
Loa Loa (eye worm) acetyltransferase 0.0175 0.8651 0.8651
Brugia malayi MH2 domain containing protein 0.0117 0.5331 0.5331
Brugia malayi latrophilin 2 splice variant baaae 0.0136 0.6386 0.6386
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1541 1
Brugia malayi TAR-binding protein 0.0076 0.2981 0.2981
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1541 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0 0.5
Onchocerca volvulus 0.0025 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0198 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0146 0.6988 0.6988
Mycobacterium tuberculosis Carboxylesterase LipT 0.0025 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0136 0.6386 0.6386
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.2193 0.2535
Echinococcus multilocularis carboxylesterase 5A 0.0146 0.6988 0.8078
Echinococcus multilocularis acetylcholinesterase 0.0146 0.6988 0.8078
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1541 0.5
Loa Loa (eye worm) hypothetical protein 0.0198 1 1
Brugia malayi Carboxylesterase family protein 0.0146 0.6988 0.6988
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.2193 0.262
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.8651 0.8651
Echinococcus granulosus GPCR family 2 0.0063 0.2193 0.262
Schistosoma mansoni hypothetical protein 0.0063 0.2193 0.2535
Schistosoma mansoni hypothetical protein 0.0136 0.6386 0.7382
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1541 0.1841
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.5331 0.5331
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.8651 1
Brugia malayi Carboxylesterase family protein 0.0146 0.6988 0.6988
Echinococcus granulosus carboxylesterase 5A 0.0146 0.6988 0.8351
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2981 0.3446
Loa Loa (eye worm) hypothetical protein 0.0146 0.6988 0.6988
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2981 0.2981
Onchocerca volvulus 0.0025 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.2193 0.2193
Loa Loa (eye worm) hypothetical protein 0.0146 0.6988 0.6988

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 18.526 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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