Detailed information for compound 1756196

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.398 | Formula: C20H20N4O3
  • H donors: 1 H acceptors: 4 LogP: 1.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cccc(c1)NC(=O)c1noc(c1)C1CCCCN1C(=O)C1CC1
  • InChi: 1S/C20H20N4O3/c21-12-13-4-3-5-15(10-13)22-19(25)16-11-18(27-23-16)17-6-1-2-9-24(17)20(26)14-7-8-14/h3-5,10-11,14,17H,1-2,6-9H2,(H,22,25)
  • InChiKey: KSGOZMKLUNWCKQ-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
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0255 0.0471 0.5
Plasmodium vivax hypothetical protein, conserved 0.0255 0.0471 0.1764
Echinococcus granulosus lysine specific histone demethylase 1A 0.0255 0.0471 0.5
Schistosoma mansoni amine oxidase 0.0255 0.0471 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0255 0.0471 0.1764
Loa Loa (eye worm) hypothetical protein 0.0255 0.0471 0.5
Loa Loa (eye worm) hypothetical protein 0.0255 0.0471 0.5
Giardia lamblia Telomerase catalytic subunit 0.1267 0.267 0.5
Brugia malayi Telomerase reverse transcriptase 0.3371 0.7246 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.3371 0.7245 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1267 0.267 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0255 0.0471 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.1267 0.267 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0255 0.0471 0.1764
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.3627 0.7801 1
Trypanosoma brucei telomerase reverse transcriptase 0.1267 0.267 1
Leishmania major telomerase reverse transcriptase, putative 0.1267 0.267 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0255 0.0471 0.5
Mycobacterium ulcerans oxidoreductase 0.0255 0.0471 0.0604
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.3627 0.7801 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0255 0.0471 0.1764
Loa Loa (eye worm) hypothetical protein 0.0255 0.0471 0.5
Treponema pallidum DNA polymerase I (polA) 0.0055 0.0034 0.5
Mycobacterium ulcerans monoamine oxidase 0.0255 0.0471 0.0604
Echinococcus multilocularis 0.0255 0.0471 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0255 0.0471 0.1764
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0255 0.0471 0.0604
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0055 0.0034 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0255 0.0471 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0255 0.0471 0.1764
Toxoplasma gondii RNA-directed DNA polymerase 0.1267 0.267 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0255 0.0471 0.1764
Trypanosoma cruzi UDP-galactopyranose mutase 0.0255 0.0471 0.1764
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0255 0.0471 1
Leishmania major UDP-galactopyranose mutase 0.0255 0.0471 0.1764
Loa Loa (eye worm) hypothetical protein 0.0255 0.0471 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0255 0.0471 0.065
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1267 0.267 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0255 0.0471 0.065
Loa Loa (eye worm) hypothetical protein 0.0255 0.0471 0.5
Mycobacterium ulcerans DNA polymerase I 0.0055 0.0034 0.0044
Loa Loa (eye worm) hypothetical protein 0.0255 0.0471 0.5
Plasmodium falciparum telomerase reverse transcriptase 0.1267 0.267 1
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0055 0.0034 0.0047
Mycobacterium ulcerans dehydrogenase 0.0255 0.0471 0.0604
Schistosoma mansoni amine oxidase 0.0255 0.0471 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0255 0.0471 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0255 0.0471 0.5
Plasmodium vivax hypothetical protein, conserved 0.0255 0.0471 0.1764

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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