Detailed information for compound 1806682

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 323.814 | Formula: C17H22ClNO3
  • H donors: 0 H acceptors: 2 LogP: 4.01 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(N(C(=C(C)C)c1ccccc1)C(=O)CCl)C
  • InChi: 1S/C17H22ClNO3/c1-5-22-17(21)13(4)19(15(20)11-18)16(12(2)3)14-9-7-6-8-10-14/h6-10,13H,5,11H2,1-4H3
  • InChiKey: UDCVNNSHYJLSRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.481 0.5573
Echinococcus granulosus tar DNA binding protein 0.0066 0.0256 0.0256
Schistosoma mansoni hypothetical protein 0.0176 0.1967 0.1967
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.481 0.5573
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0396 0.5389 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.481 0.5573
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0007 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0256 0.0256
Echinococcus granulosus tumor protein p63 0.0339 0.4506 0.4506
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0396 0.5389 0.645
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0547 0.7732 1
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0256 0.0331
Brugia malayi TAR-binding protein 0.0066 0.0256 0.0331
Echinococcus multilocularis geminin 0.0176 0.1967 0.1967
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0256 0.0256
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0396 0.5389 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0256 0.0331
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0156 0.1653 0.2138
Loa Loa (eye worm) hypothetical protein 0.005 0.0007 0.0008
Onchocerca volvulus 0.0396 0.5389 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0396 0.5389 0.645
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0396 0.5389 0.645
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0156 0.1653 0.2138
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0256 0.0256
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.0888 0.1148
Loa Loa (eye worm) RNA binding protein 0.0066 0.0256 0.0331
Brugia malayi MH2 domain containing protein 0.0249 0.3101 0.401
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0396 0.5389 0.645
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0396 0.5389 0.697
Schistosoma mansoni hypothetical protein 0.0176 0.1967 0.1967
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.481 0.5573
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0256 0.0256
Loa Loa (eye worm) transcription factor SMAD2 0.0249 0.3101 0.401
Schistosoma mansoni microtubule-associated protein tau 0.0693 1 1
Leishmania major hypothetical protein, conserved 0.0122 0.1132 0.5
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0396 0.5389 0.5
Echinococcus granulosus geminin 0.0176 0.1967 0.1967
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0396 0.5389 0.645
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0547 0.7732 1
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.481 0.5573
Loa Loa (eye worm) hypothetical protein 0.0106 0.0888 0.1148
Trypanosoma cruzi hypothetical protein, conserved 0.0122 0.1132 0.5
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0396 0.5389 0.697
Trichomonas vaginalis glucosylceramidase, putative 0.0547 0.7732 1
Trichomonas vaginalis glucosylceramidase, putative 0.0378 0.511 0.6028
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0122 0.1132 0.5
Schistosoma mansoni hypothetical protein 0.0106 0.0888 0.0888
Onchocerca volvulus Glucosylceramidase homolog 0.0359 0.481 0.8924
Echinococcus multilocularis microtubule associated protein 2 0.0693 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0256 0.0331
Trichomonas vaginalis glucosylceramidase, putative 0.0547 0.7732 1
Trichomonas vaginalis glucosylceramidase, putative 0.0547 0.7732 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0256 0.0256
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0396 0.5389 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.481 0.5573
Trichomonas vaginalis glucosylceramidase, putative 0.0547 0.7732 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0396 0.5389 0.645
Trypanosoma cruzi hypothetical protein, conserved 0.0122 0.1132 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0256 0.0256
Loa Loa (eye worm) MH2 domain-containing protein 0.0249 0.3101 0.401
Trichomonas vaginalis glucosylceramidase, putative 0.0547 0.7732 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0274 0.3492 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0156 0.1653 0.2138
Trichomonas vaginalis glucosylceramidase, putative 0.0378 0.511 0.6028
Echinococcus multilocularis tumor protein p63 0.0339 0.4506 0.4506
Trichomonas vaginalis glucosylceramidase, putative 0.0547 0.7732 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.1653 0.2138
Brugia malayi RNA binding protein 0.0066 0.0256 0.0331
Trichomonas vaginalis glucosylceramidase, putative 0.0359 0.481 0.5573

Activities

No activities found for this compound.

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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