Detailed information for compound 650898

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 286.329 | Formula: C15H18N4O2
  • H donors: 2 H acceptors: 2 LogP: 1.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C=NNC(=O)c1n[nH]c(c1)C(C)C
  • InChi: 1S/C15H18N4O2/c1-10(2)12-8-13(18-17-12)15(20)19-16-9-11-6-4-5-7-14(11)21-3/h4-10H,1-3H3,(H,17,18)(H,19,20)/b16-9+
  • InChiKey: NDIHUIMISOJHSD-CXUHLZMHSA-N  


Substructure search Similarity search

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
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0044 0.0429 0.0608
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0128 0.7064 1
Trypanosoma cruzi cytochrome P450, putative 0.0073 0.2719 1
Loa Loa (eye worm) cytochrome P450 0.0044 0.0429 0.0709
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1849 0.1849
Brugia malayi cytochrome P450 0.0044 0.0429 0.0608
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1849 0.3054
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1849 0.1849
Schistosoma mansoni hypothetical protein 0.0165 1 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.1849 0.3054
Brugia malayi Cytochrome P450 family protein 0.0109 0.5611 0.7942
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1849 0.1849
Leishmania major cytochrome p450-like protein 0.0073 0.2719 0.3849
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1849 0.1849
Schistosoma mansoni hypothetical protein 0.0044 0.0429 0.0429
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0073 0.2719 0.3849
Mycobacterium leprae putative cytochrome p450 0.0044 0.0429 0.5
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0044 0.0429 0.1579
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0128 0.7064 0.7064
Mycobacterium leprae Conserved hypothetical protein 0.0044 0.0429 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0073 0.2719 0.4491
Leishmania major cytochrome p450-like protein 0.0044 0.0429 0.0608
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1849 0.3054
Brugia malayi TAR-binding protein 0.0062 0.1849 0.2617
Brugia malayi RNA binding protein 0.0062 0.1849 0.2617
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0115 0.6055 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0044 0.0429 0.5
Leishmania major cytochrome p450-like protein 0.0044 0.0429 0.0608
Trypanosoma brucei cytochrome P450, putative 0.0073 0.2719 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0109 0.5611 0.9266
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0044 0.0429 0.1579
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1849 0.2617
Loa Loa (eye worm) cytochrome P450 family protein 0.0073 0.2719 0.4491
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0128 0.7064 0.7064
Echinococcus multilocularis 0.0044 0.0429 0.0429
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0128 0.7064 0.7064
Echinococcus granulosus tar DNA binding protein 0.0062 0.1849 0.1849
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0044 0.0429 0.1579
Brugia malayi Cytochrome P450 family protein 0.0073 0.2719 0.3849
Loa Loa (eye worm) CYP4Cod1 0.0073 0.2719 0.4491
Brugia malayi Cytochrome P450 family protein 0.0044 0.0429 0.0608
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0128 0.7064 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0044 0.0429 0.0429
Schistosoma mansoni cytochrome P450 0.0044 0.0429 0.0429
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0044 0.0429 0.1579
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0128 0.7064 1
Echinococcus multilocularis geminin 0.0165 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0128 0.7064 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0073 0.2719 0.3451
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0128 0.7064 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1849 0.1849
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0073 0.2719 1
Schistosoma mansoni hypothetical protein 0.0165 1 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1849 0.1849

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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