Detailed information for compound 1571769

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 381.339 | Formula: C19H15N3O6
  • H donors: 2 H acceptors: 5 LogP: 0.44 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)OC2=CC(OC(=O)C2C21c1ccccc1N(C2=O)CC(=O)O)C
  • InChi: 1S/C19H15N3O6/c1-9-6-13-15(17(25)27-9)19(11(7-20)16(21)28-13)10-4-2-3-5-12(10)22(18(19)26)8-14(23)24/h2-6,9,15H,8,21H2,1H3,(H,23,24)
  • InChiKey: WXHIFTRXWSUHAF-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 granulosus epidermal growth factor receptor 0.0078 0.2087 0.3277
Schistosoma mansoni tyrosine kinase 0.0077 0.2035 0.3195
Echinococcus multilocularis epidermal growth factor receptor 0.0078 0.2087 0.3299
Echinococcus granulosus epidermal growth factor receptor 0.0146 0.6325 1
Mycobacterium tuberculosis Hypothetical protein 0.0053 0.0496 0.1148
Schistosoma mansoni tyrosine kinase 0.0077 0.2035 0.3195
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0111 0.4168 1
Loa Loa (eye worm) thymidylate synthase 0.0111 0.4168 0.6579
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0157 0.7024 0.5
Schistosoma mansoni tyrosine kinase 0.0146 0.6325 1
Echinococcus multilocularis epidermal growth factor receptor 0.0146 0.6325 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0157 0.7024 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0047 0.0092 0.0145
Loa Loa (eye worm) TK/EGFR protein kinase 0.0146 0.6325 1
Brugia malayi hypothetical protein 0.0053 0.0496 0.0755
Echinococcus granulosus thymidylate synthase 0.0111 0.4168 0.6579
Brugia malayi thymidylate synthase 0.0111 0.4168 0.6579
Echinococcus multilocularis insulin receptor 0.0047 0.0092 0.0145
Loa Loa (eye worm) TK/INSR protein kinase 0.0047 0.0092 0.0113
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0111 0.4168 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0157 0.7024 1
Schistosoma mansoni tyrosine kinase 0.0047 0.0092 0.0113
Mycobacterium ulcerans thymidylate synthase 0.0111 0.4168 1
Brugia malayi Protein kinase domain containing protein 0.0047 0.0092 0.0113
Echinococcus multilocularis dihydrofolate reductase 0.0045 0.002 0.0032
Schistosoma mansoni tyrosine kinase 0.0077 0.2035 0.3195
Schistosoma mansoni tyrosine kinase 0.0078 0.2087 0.3277
Schistosoma mansoni tyrosine kinase 0.0078 0.2087 0.3277
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0496 0.5
Chlamydia trachomatis dihydrofolate reductase 0.0045 0.002 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0078 0.2087 0.3277
Echinococcus multilocularis thymidylate synthase 0.0111 0.4168 0.659
Echinococcus granulosus insulin receptor 0.0047 0.0092 0.0113
Onchocerca volvulus 0.0111 0.4168 0.5
Schistosoma mansoni tyrosine kinase 0.0047 0.0092 0.0113
Trypanosoma brucei pteridine reductase 1 0.0201 0.9832 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0111 0.4168 0.6579
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0047 0.0092 0.0113
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0157 0.7024 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.0146 0.6325 1

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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