Detailed information for compound 1780710

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.804 | Formula: C18H16ClN5O3
  • H donors: 1 H acceptors: 3 LogP: 1.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1cc(nn1c1ccc(=O)[nH]n1)C(=O)N1CCOCC1
  • InChi: 1S/C18H16ClN5O3/c19-13-3-1-12(2-4-13)15-11-14(18(26)23-7-9-27-10-8-23)22-24(15)16-5-6-17(25)21-20-16/h1-6,11H,7-10H2,(H,21,25)
  • InChiKey: JLFYGLLJCNSFDI-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
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0551 0.6558 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0702 1 0.5
Giardia lamblia Hypothetical protein 0.0333 0.1614 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0702 1 0.5
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 0.0564 0.6867 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0564 0.6867 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0702 1 1
Loa Loa (eye worm) thymidylate synthase 0.0551 0.6558 0.9436
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0555 0.6651 0.6651
Mycobacterium ulcerans thymidylate synthase 0.0551 0.6558 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0564 0.6867 0.6867
Onchocerca volvulus 0.0564 0.6867 1
Schistosoma mansoni 6-phosphofructokinase 0.0564 0.6867 1
Loa Loa (eye worm) hypothetical protein 0.0555 0.6651 0.9604
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0333 0.1614 0.5
Giardia lamblia Hypothetical protein 0.0333 0.1614 0.5
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0551 0.6558 1
Chlamydia trachomatis dihydrofolate reductase 0.0396 0.305 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0555 0.6651 0.6651
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0551 0.6558 0.9191
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0564 0.6867 0.0646
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0564 0.6867 0.0646
Loa Loa (eye worm) dihydrofolate reductase 0.0396 0.305 0.3022
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0702 1 0.5
Brugia malayi thymidylate synthase 0.0551 0.6558 1
Echinococcus multilocularis thymidylate synthase 0.0551 0.6558 0.9191
Brugia malayi Dihydrofolate reductase 0.0396 0.305 0.4651
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0564 0.6867 0.6867
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0396 0.305 0.4651
Trichomonas vaginalis conserved hypothetical protein 0.0262 0 0.5
Echinococcus granulosus thymidylate synthase 0.0551 0.6558 0.9191
Loa Loa (eye worm) hypothetical protein 0.0564 0.6867 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0702 1 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0396 0.305 0.2905
Brugia malayi dihydrofolate reductase family protein 0.0396 0.305 0.4651

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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