Detailed information for compound 1482847

Basic information

Technical information
  • TDR Targets ID: 1482847
  • Name: 2-(4-propanoylphenoxy)-N-[[2-(pyrrolidin-1-yl methyl)phenyl]methyl]acetamide
  • MW: 380.48 | Formula: C23H28N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.21 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)c1ccc(cc1)OCC(=O)NCc1ccccc1CN1CCCC1
  • InChi: 1S/C23H28N2O3/c1-2-22(26)18-9-11-21(12-10-18)28-17-23(27)24-15-19-7-3-4-8-20(19)16-25-13-5-6-14-25/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,27)
  • InChiKey: TUSWLOOFIVBHQT-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-(1-oxopropyl)phenoxy]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide
  • 2-(4-propionylphenoxy)-N-[2-(pyrrolidin-1-ylmethyl)benzyl]acetamide
  • 2-(4-propanoylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide
  • T5542827

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0145 0.0288 0.0275
Schistosoma mansoni twik family of potassium channels-related 0.0145 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Echinococcus granulosus potassium channel subfamily K 8 0.0145 0.0288 0.0275
Trypanosoma brucei calcium-activated potassium channel, putative 0.0145 0.0288 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0145 0.0288 0.5
Schistosoma mansoni twik family of potassium channels-related 0.0145 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.1493 0.4396 0.4388
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.015 0.0301 0.0288
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0408 0.1087 0.1087
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Giardia lamblia Hypothetical protein 0.0145 0.0288 1
Echinococcus multilocularis serotonin receptor 0.015 0.0301 0.0288
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0145 0.0288 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Brugia malayi Cache domain containing protein 0.0373 0.0982 1
Schistosoma mansoni calcium-activated potassium channel 0.0145 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0354 0.0923 0.0912
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0145 0.0288 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Echinococcus multilocularis potassium channel subfamily K 8 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Echinococcus multilocularis twik family of potassium channels 0.0145 0.0288 0.0275
Echinococcus granulosus potassium channel subfamily K 0.0145 0.0288 0.0275
Schistosoma mansoni serine-rich repeat protein 0.0435 0.1172 0.1172
Schistosoma mansoni twik family of potassium channels-related 0.0145 0.0288 0.0288
Loa Loa (eye worm) uncoordinated protein 58 0.0145 0.0288 0.0275
Trypanosoma cruzi hypothetical protein, conserved 0.0145 0.0288 1
Echinococcus granulosus biogenic amine 5HT receptor 0.015 0.0301 0.0288
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0145 0.0288 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1853 0.5492 0.5486
Trypanosoma cruzi ion transport protein, putative 0.0145 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0145 0.0288 0.0275
Leishmania major hypothetical protein, conserved 0.0145 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Echinococcus granulosus potassium channel subfamily K 8 0.0145 0.0288 0.0275
Echinococcus granulosus TWiK family of potassium channels protein 7 0.0145 0.0288 0.0275
Trypanosoma cruzi ion transport protein, putative 0.0145 0.0288 1
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.0145 0.0288 0.0275
Schistosoma mansoni hypothetical protein 0.3333 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0145 0.0288 0.5
Toxoplasma gondii ion channel protein 0.0145 0.0288 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.1853 0.5492 0.5486
Schistosoma mansoni calcium-activated potassium channel 0.0145 0.0288 0.0288
Schistosoma mansoni calcium-activated potassium channel 0.3333 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.015 0.0301 0.0301
Mycobacterium ulcerans ion transport protein 0.0145 0.0288 0.5
Echinococcus multilocularis potassium channel subfamily K 8 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0808 0.2309 0.2309
Echinococcus granulosus twik family of potassium channels 0.0145 0.0288 0.0275
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0145 0.0288 0.0275
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0843 0.2413 0.2404
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Plasmodium vivax potassium channel, putative 0.0145 0.0288 1
Toxoplasma gondii ion channel protein 0.0145 0.0288 1
Echinococcus multilocularis small conductance calcium activated potassium 0.3333 1 1
Loa Loa (eye worm) TWK-7 protein 0.0145 0.0288 0.0275
Plasmodium vivax potassium channel, putative 0.0145 0.0288 1
Mycobacterium ulcerans transmembrane cation transporter 0.0145 0.0288 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0145 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0303 0.0769 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0145 0.0288 1
Echinococcus granulosus calcium activated potassium channel variant 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Schistosoma mansoni twik family of potassium channels-related 0.0145 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0145 0.0288 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0145 0.0288 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Schistosoma mansoni twik family of potassium channels-related 0.0145 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Echinococcus granulosus voltage dependent calcium channel subunit 0.0843 0.2413 0.2404
Loa Loa (eye worm) hypothetical protein 0.0373 0.0982 0.0971
Leishmania major calcium/potassium channel (CAKC), putative 0.0145 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.134 0.3929 0.3921
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0145 0.0288 0.5
Echinococcus multilocularis calcium activated potassium channel variant 0.0145 0.0288 0.0275
Plasmodium falciparum potassium channel 0.0145 0.0288 1
Leishmania major potassium channel subunit-like protein 0.0145 0.0288 1
Leishmania major ion transport protein-like protein 0.0145 0.0288 1
Echinococcus multilocularis twik family of potassium channels 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Schistosoma mansoni twik family of potassium channels-related 0.0145 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) hypothetical protein 0.3333 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Brugia malayi Telomerase reverse transcriptase 0.022 0.0517 0.3299
Trypanosoma cruzi hypothetical protein, conserved 0.0145 0.0288 1
Schistosoma mansoni hypothetical protein 0.0435 0.1172 0.1172
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Echinococcus multilocularis potassium channel subfamily K 0.0145 0.0288 0.0275
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.0145 0.0288 0.0275
Loa Loa (eye worm) TWK-28 protein 0.0145 0.0288 0.0275
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0145 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.015 0.0301 0.0288
Echinococcus multilocularis serotonin receptor 0.015 0.0301 0.0288
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0145 0.0288 0.0275
Plasmodium falciparum potassium channel 0.0145 0.0288 1
Echinococcus granulosus twik family of potassium channels 0.0145 0.0288 0.0275
Schistosoma mansoni twik family of potassium channels-related 0.0145 0.0288 0.0288
Schistosoma mansoni amine GPCR 0.0381 0.1005 0.1005
Schistosoma mansoni calcium-activated potassium channel 0.2834 0.8479 0.8479
Leishmania major hypothetical protein, conserved 0.0145 0.0288 1
Schistosoma mansoni hypothetical protein 0.0145 0.0288 0.0288
Schistosoma mansoni twik family of potassium channels-related 0.0145 0.0288 0.0288
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0145 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0288 0.0275

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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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