Detailed information for compound 1498954

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 323.349 | Formula: C17H17N5O2
  • H donors: 2 H acceptors: 5 LogP: 2.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(nn1c1nc(C)cc(n1)O)C)Cc1ccccc1
  • InChi: 1S/C17H17N5O2/c1-11-9-15(23)20-17(18-11)22-14(8-12(2)21-22)19-16(24)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,24)(H,18,20,23)
  • InChiKey: GMJLEYRGBATRDA-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
Entamoeba histolytica hypothetical protein 0.0036 0.0094 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0152 0.1124 0.1039
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0 0.5
Brugia malayi hypothetical protein 0.0152 0.1124 1
Entamoeba histolytica hypothetical protein 0.0036 0.0094 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.1124 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0152 0.1124 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1124 1
Onchocerca volvulus 0.0152 0.1124 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0152 0.1124 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1124 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0152 0.1124 1
Leishmania major UDP-galactopyranose mutase 0.0152 0.1124 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1124 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0152 0.1124 0.1202
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0152 0.1124 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0078 0.0692
Plasmodium vivax hypothetical protein, conserved 0.0152 0.1124 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.1156 1 0.5
Echinococcus granulosus protoporphyrinogen oxidase 0.1004 0.8655 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.1156 1 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0152 0.1124 0.1202
Toxoplasma gondii histone lysine-specific demethylase 0.0152 0.1124 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1124 1
Plasmodium vivax hypothetical protein, conserved 0.0152 0.1124 1
Entamoeba histolytica hypothetical protein 0.0036 0.0094 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0152 0.1124 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1124 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.1004 0.8655 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0216 0.1924
Brugia malayi hypothetical protein 0.0036 0.0094 0.0841
Loa Loa (eye worm) hypothetical protein 0.0049 0.0216 0.1924
Echinococcus multilocularis 0.0152 0.1124 0.1039
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0094 0.0017
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0152 0.1124 0.1054
Loa Loa (eye worm) hypothetical protein 0.0034 0.0078 0.0692
Brugia malayi SWIRM domain containing protein 0.0152 0.1124 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0216 0.1924
Echinococcus multilocularis protoporphyrinogen oxidase 0.1156 1 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0152 0.1124 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0152 0.1124 1
Entamoeba histolytica hypothetical protein 0.0036 0.0094 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0094 0.0017
Schistosoma mansoni amine oxidase 0.0152 0.1124 0.1054
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0152 0.1124 1
Schistosoma mansoni amine oxidase 0.0152 0.1124 0.1054
Trypanosoma cruzi UDP-galactopyranose mutase 0.0152 0.1124 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.1156 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0216 0.1924

Activities

Activity type Activity value Assay description Source Reference
EC50 > 49.75 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify inhibitors of Wee1 degradation. (Class of assay: screening) [Related pubchem assays (depositor defined):AID1321, AID1410, AID1412, AID1413, AID1414, AID1807, AID434972] Panel member name: Wee1 Degradation ChEMBL. No reference
EC50 > 49.75 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify inhibitors of Wee1 degradation. (Class of assay: screening) [Related pubchem assays (depositor defined):AID1321, AID1410, AID1412, AID1413, AID1414, AID1807, AID434972] Panel member name: Cyclin B Degradation 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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