Detailed information for compound 1840544

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 373.406 | Formula: C18H23N5O4
  • H donors: 2 H acceptors: 4 LogP: 1.18 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCn1c(Cc2cc(OC)c(c(c2)OC)OC)nc2c1ncnc2N
  • InChi: 1S/C18H23N5O4/c1-25-12-7-11(8-13(26-2)16(12)27-3)9-14-22-15-17(19)20-10-21-18(15)23(14)5-4-6-24/h7-8,10,24H,4-6,9H2,1-3H3,(H2,19,20,21)
  • InChiKey: CULZDGFFUKOPAN-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
Trypanosoma brucei protein tyrosine phosphatase 1 0.0054 0 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0097 0.0603 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0054 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0332 0.3872 1
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0097 0.0603 0.1557
Giardia lamblia Protein tyrosine phosphatase 0.0054 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0728 0.9397 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0097 0.0603 0.1557
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0097 0.0603 0.0642
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0097 0.0603 0.1557
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0054 0 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0097 0.0603 0.1557
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0054 0 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0097 0.0603 1
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0054 0 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0097 0.0603 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0054 0 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0097 0.0603 1
Loa Loa (eye worm) hypothetical protein 0.0675 0.8651 0.9207
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0054 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0332 0.3872 0.3872
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0097 0.0603 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0097 0.0603 0.1557
Trichomonas vaginalis pten, drome, putative 0.0054 0 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0097 0.0603 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0097 0.0603 1
Onchocerca volvulus 0.0718 0.9255 1
Schistosoma mansoni protein tyrosine phosphatase 0.0097 0.0603 0.1557
Loa Loa (eye worm) hypothetical protein 0.0675 0.8651 0.9207
Loa Loa (eye worm) hypothetical protein 0.0675 0.8651 0.9207
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0332 0.3872 0.4121
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0054 0 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0097 0.0603 1
Leishmania major tyrosine specific protein phosphatase, putative 0.0054 0 0.5
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0097 0.0603 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0097 0.0603 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.033 Cytotoxicity against Homo sapiens (human) MCF7 cells 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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