Detailed information for compound 2071973

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.397 | Formula: C17H24N4O3
  • H donors: 0 H acceptors: 2 LogP: 0.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(Cc1ccc(o1)C)C)CN1CCOC(C1)Cn1cccn1
  • InChi: 1S/C17H24N4O3/c1-14-4-5-15(24-14)10-19(2)17(22)13-20-8-9-23-16(11-20)12-21-7-3-6-18-21/h3-7,16H,8-13H2,1-2H3
  • InChiKey: AUIONSYWZYQTAL-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 beta-galactosidase, putative 0.0198 0.0935 0.0931
Entamoeba histolytica beta-galactosidase, putative 0.0134 0.0611 0.1473
Trichomonas vaginalis beta-glucosidase, putative 0.0159 0.0739 0.0735
Echinococcus granulosus glycogen phosphorylase 0.0608 0.3009 1
Trichomonas vaginalis glucosylceramidase, putative 0.1307 0.6539 0.6538
Trichomonas vaginalis beta-hexosaminidase, putative 0.0016 0.0018 0.0013
Echinococcus multilocularis glycogen phosphorylase 0.0608 0.3009 1
Echinococcus multilocularis mitogen activated protein kinase 0.0013 0.0004 0.0015
Giardia lamblia Glycogen phosphorylase 0.0608 0.3009 1
Trichomonas vaginalis glucosylceramidase, putative 0.1307 0.6539 0.6538
Loa Loa (eye worm) hypothetical protein 0.0057 0.0224 0.0221
Echinococcus granulosus beta D xylosidase 2 0.0052 0.0197 0.0655
Schistosoma mansoni glycogen phosphorylase 0.0608 0.3009 1
Trichomonas vaginalis glucosylceramidase, putative 0.1377 0.6895 0.6894
Plasmodium vivax hypothetical protein, conserved 0.0052 0.0198 1
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0069 0.0287 0.0287
Trichomonas vaginalis glycoside hydrolase, putative 0.0316 0.1532 0.1528
Brugia malayi carbohydrate phosphorylase 0.0608 0.3009 0.3009
Entamoeba histolytica glycogen phosphorylase, putative 0.0263 0.1265 0.3798
Onchocerca volvulus Glucosylceramidase homolog 0.1307 0.6539 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0013 0.0004 0.5
Echinococcus multilocularis beta D xylosidase 2 0.0052 0.0197 0.0655
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0013 0.0004 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0018 0.0013
Schistosoma mansoni single-minded 0.0017 0.0022 0.0059
Echinococcus granulosus beta galactosidase 0.0169 0.0791 0.2628
Brugia malayi manba-prov protein 0.0064 0.026 0.026
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0013 0.0003 0.0003
Brugia malayi follicle stimulating hormone receptor 0.0062 0.025 0.025
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0263 0.1265 1
Trichomonas vaginalis Periplasmic beta-glucosidase precursor, putative 0.0052 0.0197 0.0193
Echinococcus granulosus Glycosyl transferase family 35 0.0608 0.3009 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.0791 0.0788
Chlamydia trachomatis glycogen phosphorylase 0.0608 0.3009 0.5
Schistosoma mansoni aryl hydrocarbon receptor 0.0017 0.0022 0.0059
Entamoeba histolytica glycogen phosphorylase, putative 0.0608 0.3009 1
Onchocerca volvulus Glycogen phosphorylase homolog 0.0608 0.3009 0.4601
Echinococcus granulosus mitogen activated protein kinase 3 0.0013 0.0004 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0029 0.0024
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0013 0.0004 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.1307 0.6539 0.6538
Schistosoma mansoni hypothetical protein 0.0187 0.0884 0.2927
Mycobacterium ulcerans beta-glucosidase BglS 0.0052 0.0197 0.1558
Brugia malayi MAP kinase sur-1 0.0013 0.0004 0.0004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0013 0.0003 0.0003
Loa Loa (eye worm) hypoxia-induced factor 1 0.0053 0.0202 0.0199
Schistosoma mansoni hypothetical protein 0.0052 0.0197 0.0641
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0029 0.0024
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0013 0.0004 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0029 0.0024
Echinococcus multilocularis mitogen activated protein kinase 3 0.0013 0.0004 0.0015
Toxoplasma gondii PA14 domain-containing protein 0.0018 0.0029 1
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0263 0.1265 1
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0069 0.0287 0.0285
Trichomonas vaginalis glucosylceramidase, putative 0.1307 0.6539 0.6538
Entamoeba histolytica glycogenphosphorylase, putative 0.0263 0.1265 0.3798
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0062 0.025 0.0247
Trichomonas vaginalis glucosylceramidase, putative 0.1307 0.6539 0.6538
Trichomonas vaginalis conserved hypothetical protein 0.0198 0.0935 0.0931
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0052 0.0198 1
Echinococcus granulosus mitogen activated protein kinase 0.0013 0.0004 0.0015
Echinococcus multilocularis beta galactosidase 0.0169 0.0791 0.2628
Brugia malayi hypoxia-induced factor 1 0.0053 0.0202 0.0202
Echinococcus granulosus glycogen phosphorylase 0.0608 0.3009 1
Trichomonas vaginalis glycoside hydrolases, putative 0.0159 0.0739 0.0735
Toxoplasma gondii PA14 domain-containing protein 0.0018 0.0029 1
Trichomonas vaginalis beta-hexosaminidase, putative 0.0016 0.0018 0.0013
Toxoplasma gondii PA14 domain-containing protein 0.0018 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.0791 0.0788
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0013 0.0004 0.5
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQI 0.0016 0.0018 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.0608 0.3009 0.3006
Brugia malayi PAS domain containing protein 0.0017 0.0022 0.0022
Trichomonas vaginalis beta-mannosidase, putative 0.0064 0.026 0.0256
Entamoeba histolytica glycogen phosphorylase, putative 0.0263 0.1265 0.3798
Trichomonas vaginalis glucosylceramidase, putative 0.1992 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0029 0.0024
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0013 0.0004 0.0001
Brugia malayi Beta-glucuronidase precursor 0.0064 0.026 0.026
Loa Loa (eye worm) glycogen phosphorylase 0.0608 0.3009 0.3007
Brugia malayi hypothetical protein 0.0057 0.0224 0.0224
Entamoeba histolytica glycogen phosphorylase, putative 0.0608 0.3009 1
Schistosoma mansoni glycogen phosphorylase 0.0608 0.3009 1
Trichomonas vaginalis glucosylceramidase, putative 0.1307 0.6539 0.6538
Trichomonas vaginalis glucosylceramidase, putative 0.1992 1 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0608 0.3009 1
Trichomonas vaginalis glucosylceramidase, putative 0.1992 1 1
Loa Loa (eye worm) beta-glucuronidase 0.0064 0.026 0.0258
Trichomonas vaginalis Antigenic protein P1, putative 0.0018 0.0029 0.0024
Mycobacterium ulcerans lipoprotein LpqI 0.0016 0.0018 0.0141
Trichomonas vaginalis glucosylceramidase, putative 0.1992 1 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1992 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.1992 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0013 0.0004 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.1992 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.1377 0.6895 0.6894
Echinococcus multilocularis glycogen phosphorylase 0.0608 0.3009 1
Trichomonas vaginalis glucosylceramidase, putative 0.1307 0.6539 0.6538
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0013 0.0004 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.0608 0.3009 0.3006
Trypanosoma brucei protein kinase, putative 0.0013 0.0004 0.5
Schistosoma mansoni beta-galactosidase 0.0169 0.0791 0.2617
Schistosoma mansoni glycogen phosphorylase 0.0263 0.1265 0.4195
Schistosoma mansoni beta-mannosidase 0.0064 0.026 0.0852

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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