Detailed information for compound 1612396

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.891 | Formula: C23H21ClN4O2
  • H donors: 1 H acceptors: 2 LogP: 2.89 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1n1[nH]c2c(c1=O)c1CN(CCCn1c(=O)c2)Cc1ccccc1
  • InChi: 1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
  • InChiKey: DISVMXDWAMMVLT-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
Plasmodium vivax hypothetical protein, conserved 0.0027 0 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0027 0 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0626 0.1096
Mycobacterium tuberculosis Possible oxidoreductase 0.0027 0 0.5
Brugia malayi SWIRM domain containing protein 0.0144 0.5403 0.5403
Plasmodium falciparum protoporphyrinogen oxidase 0.0027 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0158 0.6014 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0626 0.0871
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.7189 0.7189
Mycobacterium tuberculosis Conserved hypothetical protein 0.0027 0 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0626 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0027 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0626 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0741 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.7189 0.7189
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0626 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0626 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0133 0.4884 0.6794
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0151 0.571 1
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0151 0.571 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0244 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.7189 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0626 0.1096
Onchocerca volvulus 0.0144 0.5403 0.278
Plasmodium vivax hypothetical protein, conserved 0.0027 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0158 0.6014 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0626 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0626 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0027 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0133 0.4884 0.4884
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0626 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0519 0.0519
Echinococcus granulosus lysine specific histone demethylase 1A 0.0133 0.4884 0.6794
Treponema pallidum hypothetical protein 0.0043 0.0741 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0133 0.4884 0.4884
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0626 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0027 0 0.5
Leishmania major ferric reductase, putative 0.0151 0.571 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0027 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0144 0.5403 0.5403
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0133 0.4884 0.8121
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0626 0.5
Mycobacterium ulcerans oxidoreductase 0.0027 0 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0626 0.0626
Loa Loa (eye worm) hypothetical protein 0.0093 0.3044 0.3044
Onchocerca volvulus Dual oxidase homolog 0.0244 1 1
Mycobacterium ulcerans monoamine oxidase 0.0027 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.7189 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0626 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0626 0.1096
Mycobacterium ulcerans dehydrogenase 0.0027 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.7189 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0626 0.0871
Schistosoma mansoni alpha glucosidase 0.0041 0.0626 0.1041
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0626 0.0626
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0151 0.571 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0038 0.0519 0.0519
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0027 0 0.5

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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