Detailed information for compound 1155643

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.491 | Formula: C25H24N5O+
  • H donors: 2 H acceptors: 1 LogP: 4.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)/C=C/c1cn2c([n+]1C)cccc2C
  • InChi: 1S/C25H23N5O/c1-18-4-3-5-24-29(2)23(17-30(18)24)15-10-19-6-8-20(9-7-19)16-27-28-25(31)21-11-13-22(26)14-12-21/h3-17H,1-2H3,(H2-,26,28,31)/p+1/b15-10+,27-16+
  • InChiKey: SLQULWOWJGAPOB-OHRRRPBESA-O  


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
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.2149 1
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.2149 0.2557
Brugia malayi MAP kinase sur-1 0.0055 0.2149 0.1906
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1781 0.1669
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.2746 0.2647
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.2149 1
Schistosoma mansoni alpha-glucosidase 0.0151 0.8406 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1781 0.1669
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.2149 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1247 0.1247
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.1091 0.1829
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.1091 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.1091 0.1829
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.2149 0.2042
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.2149 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.2149 0.2042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1781 0.2119
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.1091 0.1829
Echinococcus multilocularis lysosomal alpha glucosidase 0.0176 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.352 0.352
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.1091 0.1829
Trichomonas vaginalis rotamase, putative 0.0036 0.0909 0.0429
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.1091 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1781 0.1669
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.1091 0.1829
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0036 0.0909 0.0628
Onchocerca volvulus 0.0102 0.5172 0.5
Schistosoma mansoni rotamase 0.0036 0.0909 0.1082
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.2149 0.2042
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.2746 0.2647
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.2149 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.2149 0.2149
Trypanosoma brucei protein kinase, putative 0.0055 0.2149 1
Schistosoma mansoni alpha glucosidase 0.0039 0.1091 0.1298
Schistosoma mansoni alpha-glucosidase 0.0151 0.8406 1
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0909 0.0429
Trypanosoma brucei glucosidase, putative 0.0039 0.1091 0.1829
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.1075 0.0954
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.1091 0.1829
Echinococcus multilocularis lysosomal alpha glucosidase 0.0176 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.1091 0.1829
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.2149 0.2042
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.2149 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.1091 0.0969
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1091 0.1829
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.2149 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.2149 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.2149 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0134 0.016
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1781 0.1526
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.2149 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.1075 0.0954
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1781 0.1781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1781 0.2119
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1091 0.1829
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.2149 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.1091 0.0969
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.1091 0.1829
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1781 0.2119
Echinococcus granulosus lysosomal alpha glucosidase 0.0176 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.1091 0.1829
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.2149 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.1547 0.1547
Echinococcus granulosus expressed protein 0.0036 0.0909 0.0786
Echinococcus multilocularis expressed protein 0.0036 0.0909 0.0786
Loa Loa (eye worm) hypothetical protein 0.0044 0.1413 0.1413
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.1091 0.1829
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0176 1 1
Brugia malayi Bromodomain containing protein 0.0041 0.1242 0.097
Schistosoma mansoni bromodomain containing protein 0.0068 0.2997 0.3566
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1781 0.1669
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.1091 0.1091
Brugia malayi Bromodomain containing protein 0.0081 0.3821 0.3629
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.2149 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.1091 0.1829
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0036 0.0909 0.0909
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.1091 0.0815

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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