Detailed information for compound 1128946

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.541 | Formula: C26H29N5O2
  • H donors: 0 H acceptors: 2 LogP: 3.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1CCN(CC1)CCCCn1cnc2c(c1=O)cnc1c2cccc1
  • InChi: 1S/C26H29N5O2/c1-33-21-10-8-20(9-11-21)30-16-14-29(15-17-30)12-4-5-13-31-19-28-25-22-6-2-3-7-24(22)27-18-23(25)26(31)32/h2-3,6-11,18-19H,4-5,12-17H2,1H3
  • InChiKey: DBMZNAROIFCNMV-UHFFFAOYSA-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
Echinococcus granulosus dual specificity protein kinase clk2 0.006 0.2052 0.3589
Echinococcus multilocularis mitogen activated protein kinase 3 0.0099 0.5366 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.2468 0.0523
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0099 0.5366 0.5366
Echinococcus granulosus mitogen activated protein kinase 0.0099 0.5366 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.006 0.2087 0.0106
Mycobacterium leprae putative cytochrome p450 0.006 0.2087 0.5
Trypanosoma brucei cytochrome P450, putative 0.0095 0.5012 0.8932
Loa Loa (eye worm) CYP4Cod1 0.0095 0.5012 0.5012
Schistosoma mansoni cytochrome P450 0.006 0.2087 0.0106
Giardia lamblia Kinase, CMGC MAPK 0.0099 0.5366 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0095 0.5012 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.006 0.2087 0.0106
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.006 0.2087 0.0106
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0099 0.5366 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.2468 0.5
Leishmania major cytochrome p450-like protein 0.0095 0.5012 0.8932
Trypanosoma cruzi cytochrome P450, putative 0.0095 0.5012 0.8932
Trypanosoma brucei protein kinase, putative 0.0099 0.5366 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.2468 0.1254
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.5366 1
Brugia malayi Cytochrome P450 family protein 0.006 0.2087 0.0044
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.2468 0.1254
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.2248 0.3968
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0099 0.5366 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0099 0.5366 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0099 0.5366 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.2468 0.1254
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.2248 0.055
Echinococcus multilocularis 0.006 0.2087 0.3657
Loa Loa (eye worm) cytochrome P450 family protein 0.0155 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0099 0.5366 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0099 0.5366 1
Leishmania major cytochrome p450-like protein 0.006 0.2087 0.0106
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.2468 0.4393
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.006 0.2087 0.0106
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.2248 0.0591
Loa Loa (eye worm) cytochrome P450 family protein 0.0095 0.5012 0.5012
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0099 0.5366 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0095 0.5012 0.5012
Schistosoma mansoni hypothetical protein 0.006 0.2087 0.0106
Brugia malayi MAP kinase sur-1 0.0099 0.5366 0.4169
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.2468 0.1254
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.2248 0.0246
Brugia malayi cytochrome P450 0.006 0.2087 0.0044
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.2248 1
Plasmodium falciparum protein serine/threonine kinase-1 0.006 0.2052 0.5
Brugia malayi Cytochrome P450 family protein 0.0095 0.5012 0.3724
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.5366 1
Loa Loa (eye worm) CMGC/CLK protein kinase 0.006 0.2052 0.2052
Echinococcus granulosus cytochrome P450 2K1 0.006 0.2087 0.3657
Leishmania major cytochrome p450-like protein 0.006 0.2087 0.0106
Plasmodium vivax serine/threonine kinase-1, putative 0.006 0.2052 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.2248 0.0591
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.2468 0.1254
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.5366 1
Mycobacterium leprae Conserved hypothetical protein 0.006 0.2087 0.5
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.2468 0.4393
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.2248 0.3968
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0099 0.5366 1
Loa Loa (eye worm) cytochrome P450 0.006 0.2087 0.2087
Toxoplasma gondii cytochrome p450 superfamily protein 0.006 0.2087 0.0106
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.2248 0.055
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.5366 1
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.5366 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.1899 0.1899
Loa Loa (eye worm) hypothetical protein 0.0058 0.194 0.194
Echinococcus granulosus hypothetical protein 0.0058 0.194 0.3373
Leishmania major lanosterol 14-alpha-demethylase, putative 0.006 0.2087 0.0106
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0099 0.5366 1
Echinococcus multilocularis mitogen activated protein kinase 0.0099 0.5366 1
Brugia malayi Cytochrome P450 family protein 0.0095 0.5012 0.3724
Echinococcus multilocularis 0.0058 0.194 0.3373
Trypanosoma cruzi cytochrome P450, putative 0.0095 0.5012 0.8932
Echinococcus multilocularis dual specificity protein kinase clk2 0.006 0.2052 0.3589
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.2468 0.2468

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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