Detailed information for compound 992408

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.844 | Formula: C17H24ClN3O3
  • H donors: 2 H acceptors: 2 LogP: 1.15 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(cc1)Cl)N
  • InChi: 1S/C17H24ClN3O3/c1-24-10-8-20-16(22)15-3-2-9-21(15)17(23)14(19)11-12-4-6-13(18)7-5-12/h4-7,14-15H,2-3,8-11,19H2,1H3,(H,20,22)/t14-,15+/m1/s1
  • InChiKey: BGIFZFZXRLDKGM-CABCVRRESA-N  

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
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0061 0.0061
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.1459 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.04 0.04
Loa Loa (eye worm) hypothetical protein 0.005 0.0251 0.0477
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.04 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0291 0.3402 0.5
Plasmodium vivax SET domain protein, putative 0.0061 0.04 0.5
Brugia malayi Pre-SET motif family protein 0.0426 0.5165 0.9828
Loa Loa (eye worm) hypothetical protein 0.027 0.3138 0.5971
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.04 0.04
Echinococcus multilocularis serotonin receptor 0.027 0.3138 0.3138
Echinococcus granulosus tumor protein p63 0.0389 0.4694 0.4694
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0061 0.0117
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.3402 1
Loa Loa (eye worm) hypothetical protein 0.0272 0.3163 0.6018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0251 0.0477
Schistosoma mansoni hypothetical protein 0.0074 0.0564 0.0564
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.04 0.04
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0061 0.0061
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0251 0.0477
Loa Loa (eye worm) hypothetical protein 0.0061 0.04 0.0762
Echinococcus multilocularis transcription factor Dp 1 0.0034 0.0048 0.0048
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.1459 0.5
Brugia malayi jmjC domain containing protein 0.0095 0.0844 0.1606
Loa Loa (eye worm) hypothetical protein 0.027 0.3138 0.5971
Trichomonas vaginalis set domain proteins, putative 0.0484 0.5933 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.013 0.013
Entamoeba histolytica hypothetical protein 0.0074 0.0564 0.0633
Entamoeba histolytica hypothetical protein 0.0074 0.0564 0.0633
Loa Loa (eye worm) hypothetical protein 0.0432 0.5256 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0844 0.0844
Loa Loa (eye worm) hypothetical protein 0.0034 0.0046 0.0087
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0059 0.0372 0.0372
Onchocerca volvulus 0.0077 0.0614 0.1035
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0358 0.4276 0.8137
Echinococcus multilocularis tumor protein p63 0.0389 0.4694 0.4694
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.04 0.04
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.3402 1
Echinococcus granulosus biogenic amine 5HT receptor 0.027 0.3138 0.3138
Echinococcus multilocularis microtubule associated protein 2 0.0795 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.04 0.04
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0426 0.5165 0.9828
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0059 0.0372 0.0372
Onchocerca volvulus 0.0484 0.5933 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0251 0.0477
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0358 0.4276 0.8137
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0385 0.0733
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0844 0.0844
Brugia malayi jmjC domain containing protein 0.0035 0.0061 0.0117
Onchocerca volvulus 0.0057 0.0348 0.0586
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.1459 0.5
Echinococcus multilocularis serotonin receptor 0.027 0.3138 0.3138
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0358 0.4276 1
Entamoeba histolytica hypothetical protein 0.0074 0.0564 0.0633
Loa Loa (eye worm) hypothetical protein 0.005 0.0252 0.048
Echinococcus multilocularis jumonji domain containing protein 0.004 0.013 0.013
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.04 0.04
Loa Loa (eye worm) hypothetical protein 0.0183 0.1991 0.3789
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0046 0.0087
Brugia malayi Pre-SET motif family protein 0.0061 0.04 0.0762
Schistosoma mansoni microtubule-associated protein tau 0.0795 1 1
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0589 0.0589
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0348 0.0348
Schistosoma mansoni hypothetical protein 0.0034 0.0046 0.0046
Onchocerca volvulus 0.0061 0.04 0.0675
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0564 0.0564
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0272 0.3163 0.6018
Loa Loa (eye worm) hypothetical protein 0.0272 0.3163 0.6018
Schistosoma mansoni biogenic amine (5HT) receptor 0.027 0.3138 0.3138
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0061 0.0061
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0564 0.0564
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0059 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0057 0.0348 0.0662
Trypanosoma brucei C-8 sterol isomerase, putative 0.0358 0.4276 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0564 0.0564
Brugia malayi NNMT/PNMT/TEMT family protein 0.0272 0.3163 0.6018
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 0.3402 0.5
Entamoeba histolytica hypothetical protein 0.0074 0.0564 0.0633
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0371 0.0371
Leishmania major C-8 sterol isomerase-like protein 0.0358 0.4276 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0059 0.0372 0.0708
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0059 0.0372 0.0708
Brugia malayi hypothetical protein 0.0074 0.0564 0.1073
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.04 0.04
Brugia malayi Dopamine receptor protein 1 0.0432 0.5256 1
Echinococcus granulosus transcription factor Dp 1 0.0034 0.0048 0.0048

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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