Detailed information for compound 1797063

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 338.192 | Formula: C14H13Cl2N5O
  • H donors: 2 H acceptors: 2 LogP: 2.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(NCCCc2ccnc(c2)Cl)c2n(c1)c(=O)[nH]n2
  • InChi: 1S/C14H13Cl2N5O/c15-10-7-11(13-19-20-14(22)21(13)8-10)17-4-1-2-9-3-5-18-12(16)6-9/h3,5-8,17H,1-2,4H2,(H,20,22)
  • InChiKey: OKHSIZNHMYBPJZ-UHFFFAOYSA-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 serine/threonine protein kinase 0.0353 1 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0353 1 1
Trichomonas vaginalis CMGC family protein kinase 0.006 0 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0063 0.0086 0.5
Trichomonas vaginalis CMGC family protein kinase 0.006 0 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0063 0.0086 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0086 0.0086
Entamoeba histolytica protein kinase domain containing protein 0.006 0 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0308 0.8467 0.8467
Mycobacterium ulcerans oxidoreductase 0.0063 0.0086 0.5
Echinococcus multilocularis 0.0063 0.0086 0.0086
Entamoeba histolytica protein kinase, putative 0.006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0334 0.9357 0.9357
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0308 0.8467 0.8467
Echinococcus multilocularis protoporphyrinogen oxidase 0.0063 0.0086 0.0086
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0086 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0063 0.0086 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0063 0.0086 1
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0353 1 1
Giardia lamblia Kinase, CMGC GSK 0.006 0 0.5
Mycobacterium ulcerans dehydrogenase 0.0063 0.0086 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0063 0.0086 0.5
Mycobacterium ulcerans monoamine oxidase 0.0063 0.0086 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0063 0.0086 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0353 1 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0063 0.0086 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0308 0.8467 0.8467
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0353 1 1
Loa Loa (eye worm) hypothetical protein 0.0308 0.8467 0.8467
Loa Loa (eye worm) hypothetical protein 0.0063 0.0086 0.0086
Schistosoma mansoni amine oxidase 0.0063 0.0086 0.0086
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0353 1 1
Giardia lamblia Kinase, CMGC GSK 0.006 0 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0063 0.0086 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0089 0.0976 0.0976
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0086 1
Onchocerca volvulus 0.0334 0.9357 0.9357
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0063 0.0086 0.0086
Trypanosoma brucei protein kinase, putative 0.006 0 0.5
Brugia malayi hypothetical protein 0.0063 0.0086 0.0086
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0063 0.0086 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0063 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0089 0.0976 0.0976
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0063 0.0086 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0063 0.0086 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0063 0.0086 0.5
Leishmania major UDP-galactopyranose mutase 0.0063 0.0086 1
Entamoeba histolytica protein kinase domain containing protein 0.006 0 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0063 0.0086 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0063 0.0086 0.5
Schistosoma mansoni amine oxidase 0.0063 0.0086 0.0086
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0063 0.0086 0.5
Brugia malayi SWIRM domain containing protein 0.0334 0.9357 0.9357
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0353 1 1
Toxoplasma gondii histone lysine-specific demethylase 0.0063 0.0086 1
Loa Loa (eye worm) hypothetical protein 0.0308 0.8467 0.8467

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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