Detailed information for compound 1487574

Basic information

Technical information
  • TDR Targets ID: 1487574
  • Name: 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl )acetamide hydrochloride
  • MW: 319.227 | Formula: C14H20Cl2N2O2
  • H donors: 1 H acceptors: 1 LogP: 3.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc(cc1)Cl)NCCN1CCCC1.Cl
  • InChi: 1S/C14H19ClN2O2.ClH/c15-12-3-5-13(6-4-12)19-11-14(18)16-7-10-17-8-1-2-9-17;/h3-6H,1-2,7-11H2,(H,16,18);1H
  • InChiKey: RLUHHXZXJCESQI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chlorophenoxy)-N-(2-1-pyrrolidinylethyl)acetamide hydrochloride
  • 2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)ethanamide hydrochloride
  • 68654-62-6
  • 2-(4-Chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)acetamide monohydrochloride
  • 2-(4-Chloro-phenoxy)-N-(2-pyrrolidin-1-yl-ethyl)-acetamide
  • MLS001205264
  • SMR000523711
  • Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
  • F 1539
  • N-(2'-Pyrrolidinoethyl)-4-chlorophenoxyacetamide hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus geminin 0.0186 0.0966 0.0966
Echinococcus multilocularis jumonji domain containing protein 0.0089 0.0248 0.0248
Echinococcus multilocularis PHD finger protein rhinoceros 0.0064 0.0063 0.0063
Echinococcus multilocularis geminin 0.0186 0.0966 0.0966
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0209 0.1136 0.1136
Brugia malayi CHE-14 protein 0.0579 0.3877 0.3877
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.066 0.4474 1
Echinococcus granulosus peregrin 0.0064 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0153 0.0722 0.0722
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.1407 1 1
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.066 0.4474 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0064 0.0063 0.0063
Onchocerca volvulus Alhambra homolog 0.0064 0.0063 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.04 0.04
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0064 0.0063 0.0063
Echinococcus multilocularis lysine specific demethylase 5A 0.0077 0.0162 0.0162
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.066 0.4474 1
Echinococcus granulosus sterol regulatory element binding protein 0.0579 0.3877 0.3877
Schistosoma mansoni patched 1 0.0579 0.3877 0.3877
Loa Loa (eye worm) jmjC domain-containing protein 0.0077 0.0162 0.0162
Echinococcus multilocularis peregrin 0.0064 0.0063 0.0063
Echinococcus multilocularis muscleblind protein 1 0.0153 0.0722 0.0722
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.1407 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0064 0.0063 0.5
Echinococcus granulosus muscleblind protein 0.0153 0.0722 0.0722
Brugia malayi jmjC domain containing protein 0.0209 0.1136 0.1136
Echinococcus granulosus jumonji domain containing protein 0.0089 0.0248 0.0248
Echinococcus multilocularis protein patched 0.0579 0.3877 0.3877
Echinococcus multilocularis Niemann Pick C1 protein 0.0579 0.3877 0.3877
Echinococcus multilocularis protein dispatched 1 0.0579 0.3877 0.3877
Loa Loa (eye worm) jmjC domain-containing protein 0.0132 0.0565 0.0565
Brugia malayi jmjC domain containing protein 0.0077 0.0162 0.0162
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.066 0.4474 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0209 0.1136 0.1136
Echinococcus granulosus Protein patched homolog 1 0.0579 0.3877 0.3877
Loa Loa (eye worm) hypothetical protein 0.0579 0.3877 0.3877
Brugia malayi Bromodomain containing protein 0.0064 0.0063 0.0063
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.1407 1 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0579 0.3877 0.3877
Toxoplasma gondii PHD-finger domain-containing protein 0.0064 0.0063 0.5
Schistosoma mansoni jumonji domain containing protein 0.0166 0.0818 0.0818
Echinococcus granulosus lysine specific demethylase 5A 0.0077 0.0162 0.0162
Plasmodium vivax hypothetical protein, conserved 0.0064 0.0063 0.5
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.1407 1 0.5
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.1407 1 0.5
Plasmodium falciparum phd finger protein, putative 0.0064 0.0063 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.1407 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.0063 0.0063
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0579 0.3877 0.3877
Loa Loa (eye worm) hypothetical protein 0.1407 1 1
Brugia malayi PHD-finger family protein 0.0064 0.0063 0.0063
Echinococcus granulosus Niemann Pick C1 protein 0.0579 0.3877 0.3877
Schistosoma mansoni hypothetical protein 0.0186 0.0966 0.0966
Brugia malayi Muscleblind-like protein 0.0153 0.0722 0.0722
Schistosoma mansoni jumonji/arid domain-containing protein 0.0077 0.0162 0.0162
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.1407 1 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0064 0.0063 0.0063
Echinococcus multilocularis muscleblind protein 0.0153 0.0722 0.0722
Schistosoma mansoni hypothetical protein 0.0064 0.0063 0.0063
Schistosoma mansoni hypothetical protein 0.0186 0.0966 0.0966
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0579 0.3877 0.3877
Loa Loa (eye worm) hypothetical protein 0.0153 0.0722 0.0722
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.1407 1 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0077 0.0162 0.0162

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 35.4813 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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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