Detailed information for compound 1609215

Basic information

Technical information
  • TDR Targets ID: 1609215
  • Name: 3-ethoxy-3-imino-1-phenylpropan-1-one hydroch loride
  • MW: 227.687 | Formula: C11H14ClNO2
  • H donors: 0 H acceptors: 1 LogP: 2.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=N)CC(=O)c1ccccc1.Cl
  • InChi: 1S/C11H13NO2.ClH/c1-2-14-11(12)8-10(13)9-6-4-3-5-7-9;/h3-7,12H,2,8H2,1H3;1H
  • InChiKey: NRLDWWRFCBQNPX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-ethoxy-3-imino-1-phenyl-propan-1-one hydrochloride
  • NSC621666

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
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0127 0.2969 0.5
Schistosoma mansoni fusion 0.0127 0.2969 0.2969
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0205 0.5363 0.5363
Trypanosoma cruzi WLM domain containing protein, putative 0.0127 0.2969 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0356 1 1
Giardia lamblia Kinase, AGC AKT 0.0175 0.4469 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0127 0.2969 0.2969
Loa Loa (eye worm) hypothetical protein 0.0127 0.2969 0.2969
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0356 1 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.2969 0.2969
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0127 0.2969 0.2969
Schistosoma mansoni hypothetical protein 0.0127 0.2969 0.2969
Entamoeba histolytica protein kinase, putative 0.003 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0127 0.2969 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0356 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0356 1 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0127 0.2969 0.2969
Brugia malayi brahma associated protein 60 kDa 0.0356 1 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0356 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0356 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0356 1 1
Schistosoma mansoni hypothetical protein 0.0356 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0127 0.2969 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0205 0.5363 0.5363
Plasmodium vivax hypothetical protein, conserved 0.0356 1 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.0127 0.2969 0.2969
Echinococcus multilocularis ring and YY1 binding protein 0.0127 0.2969 0.2969
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0198 0.0198
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0127 0.2969 0.2969
Schistosoma mansoni brg-1 associated factor 0.0356 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0127 0.2969 0.5
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0205 0.5363 0.5363
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0356 1 1
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0175 0.4469 0.4469
Echinococcus granulosus Zinc finger RanBP2 type 0.0127 0.2969 0.2969
Entamoeba histolytica protein kinase, putative 0.003 0 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0127 0.2969 0.2969
Loa Loa (eye worm) hypothetical protein 0.0127 0.2969 0.2969
Echinococcus granulosus SWI:SNF matrix associated 0.0356 1 1
Onchocerca volvulus 0.0356 1 1
Schistosoma mansoni hypothetical protein 0.0356 1 1
Schistosoma mansoni RNA binding protein 0.0127 0.2969 0.2969
Trypanosoma brucei hypothetical protein, conserved 0.0127 0.2969 1
Chlamydia trachomatis DNA topoisomerase I 0.0356 1 0.5
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0356 1 0.5
Brugia malayi YY1-associated factor 2 0.0127 0.2969 0.2969
Loa Loa (eye worm) brahma associated protein 0.0356 1 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0127 0.2969 0.2969
Schistosoma mansoni hypothetical protein 0.0356 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0356 1 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0127 0.2969 0.2969
Loa Loa (eye worm) hypothetical protein 0.0127 0.2969 0.2969
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0356 1 1
Schistosoma mansoni zinc finger protein 0.0127 0.2969 0.2969
Trypanosoma cruzi hypothetical protein, conserved 0.0127 0.2969 0.5
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0356 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0356 1 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0127 0.2969 1
Echinococcus granulosus ring and YY1 binding protein 0.0127 0.2969 0.2969
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0127 0.2969 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0127 0.2969 0.5
Echinococcus granulosus zinc finger protein Ran binding 0.0127 0.2969 0.2969
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0127 0.2969 0.2969
Entamoeba histolytica protein kinase, putative 0.003 0 0.5
Echinococcus multilocularis zinc finger protein Ran binding 0.0127 0.2969 0.2969
Chlamydia trachomatis SWIB complex protein 0.0356 1 0.5
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0205 0.5363 0.5363
Trypanosoma brucei hypothetical protein, conserved 0.0127 0.2969 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0127 0.2969 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0127 0.2969 0.5
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0175 0.4469 1
Entamoeba histolytica protein kinase, putative 0.003 0 0.5
Toxoplasma gondii ran binding protein 0.0127 0.2969 0.2969
Trypanosoma cruzi WLM domain containing protein, putative 0.0127 0.2969 0.5
Loa Loa (eye worm) hypothetical protein 0.0127 0.2969 0.2969

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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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