Detailed information for compound 68878

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 216.239 | Formula: C11H12N4O
  • H donors: 1 H acceptors: 2 LogP: 1.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCN(c1nc2c(o1)cccc2)NC
  • InChi: 1S/C11H12N4O/c1-13-15(8-4-7-12)11-14-9-5-2-3-6-10(9)16-11/h2-3,5-6,13H,4,8H2,1H3
  • InChiKey: WQMKYLQKKOZUOR-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
Schistosoma mansoni hypothetical protein 0.0012 0.0464 0.0498
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0012 0.0464 0.5
Echinococcus multilocularis 0.0012 0.0464 0.0553
Entamoeba histolytica hypothetical protein 0.0038 0.5953 0.5
Loa Loa (eye worm) cytochrome P450 0.0012 0.0464 0.0464
Brugia malayi Cytochrome P450 family protein 0.0012 0.0464 0.0326
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.5953 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.5953 0.9002
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0012 0.0464 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.6597 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.5858 0.9836
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.2653 1
Entamoeba histolytica hypothetical protein 0.0038 0.5953 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0012 0.0464 0.5
Trypanosoma brucei cytochrome P450, putative 0.0023 0.2653 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.5953 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.2653 0.2653
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0012 0.0464 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0012 0.0464 0.5
Leishmania major cytochrome p450-like protein 0.0023 0.2653 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.2653 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0012 0.0464 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.5328 0.5
Schistosoma mansoni cytochrome P450 0.0012 0.0464 0.0498
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.5858 0.9836
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0012 0.0464 0.5
Brugia malayi hypothetical protein 0.0038 0.5953 0.5895
Toxoplasma gondii cytochrome p450 superfamily protein 0.0012 0.0464 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0012 0.0464 0.5
Brugia malayi Cytochrome P450 family protein 0.0023 0.2653 0.2547
Echinococcus granulosus cytochrome P450 2K1 0.0012 0.0464 0.0553
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0012 0.0464 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.2653 0.2653
Brugia malayi Cytochrome P450 family protein 0.0023 0.2653 0.2547
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.2653 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0012 0.0464 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0012 0.0464 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.5953 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0012 0.0464 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0012 0.0464 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.5953 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.5328 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0012 0.0464 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.5953 0.9002
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.6597 1
Mycobacterium leprae putative cytochrome p450 0.0012 0.0464 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0012 0.0464 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.4795 0.4795
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0012 0.0464 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0012 0.0464 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0142 0.0142
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0012 0.0464 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0012 0.0464 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.5858 0.5858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.5858 0.5798
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0012 0.0464 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0012 0.0464 0.5
Loa Loa (eye worm) CYP4Cod1 0.0023 0.2653 0.2653
Brugia malayi cytochrome P450 0.0012 0.0464 0.0326

Activities

Activity type Activity value Assay description Source Reference
ED40 (functional) = 250 uM kg-1 Effective dose required for 40% inhibition of rat dermal reverse passive Arthus reaction (RPAR) ChEMBL. 2970549

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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