Detailed information for compound 1075741

Basic information

Technical information
  • TDR Targets ID: 1075741
  • Name: 1-(2-methoxyphenyl)-1,3,5-triazaspiro[5.5]und eca-2,4-diene-2,4-diamine
  • MW: 287.36 | Formula: C15H21N5O
  • H donors: 2 H acceptors: 0 LogP: 1.35 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1C(=NC(=NC21CCCCC2)N)N
  • InChi: 1S/C15H21N5O/c1-21-12-8-4-3-7-11(12)20-14(17)18-13(16)19-15(20)9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H4,16,17,18,19)
  • InChiKey: VBDGNAITTIPYBS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-amino-1-(2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-2,4-dien-2-yl]amine
  • EU-0047678
  • ChemDiv3_004475
  • IDI1_022385
  • ZINC00146413

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0082 0.308 0.294
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0058 0.1993 0.183
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0019 0.0238 0.0616
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0099 0.3855 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0058 0.1993 0.4851
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0019 0.0238 0.0616
Brugia malayi Cytochrome P450 family protein 0.0037 0.1058 0.0841
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0019 0.0238 0.0616
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0058 0.1993 0.5169
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.1058 0.0876
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0099 0.3855 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0058 0.1993 0.4851
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.1058 0.0876
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0099 0.3855 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0099 0.3855 1
Brugia malayi bHLH-PAS transcription factor 0.0038 0.108 0.0863
Brugia malayi Cytochrome P450 family protein 0.0082 0.308 0.2912
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0058 0.1993 0.5169
Loa Loa (eye worm) hypoxia-induced factor 1 0.0157 0.6494 0.6423
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0058 0.1993 0.5169
Trypanosoma cruzi cytochrome P450, putative 0.0037 0.1058 0.2745
Leishmania major eukaryotic initiation factor 4a, putative 0.0099 0.3855 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0099 0.3855 0.5
Leishmania major cytochrome p450-like protein 0.0037 0.1058 0.2745
Mycobacterium leprae putative cytochrome p450 0.0019 0.0238 0.5
Loa Loa (eye worm) cytochrome P450 0.0019 0.0238 0.0039
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.1993 0.4851
Brugia malayi PAS domain containing protein 0.0051 0.1678 0.1475
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0099 0.3855 1
Brugia malayi MAP kinase sur-1 0.0058 0.1993 0.1798
Leishmania major cytochrome p450-like protein 0.0019 0.0238 0.0616
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0099 0.3855 1
Leishmania major cytochrome p450-like protein 0.0019 0.0238 0.0616
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0099 0.3855 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0099 0.3855 1
Echinococcus granulosus mitogen activated protein kinase 0.0058 0.1993 0.4851
Brugia malayi Cytochrome P450 family protein 0.0037 0.1058 0.0841
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.1993 0.5169
Plasmodium falciparum eukaryotic initiation factor 4A 0.0099 0.3855 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.1993 0.4851
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0099 0.3855 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0099 0.3855 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0099 0.3855 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.1993 0.5169
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0099 0.3855 1
Mycobacterium leprae Conserved hypothetical protein 0.0019 0.0238 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.3855 0.373
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0099 0.3855 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0037 0.1058 0.9737
Loa Loa (eye worm) CYP4Cod1 0.0037 0.1058 0.0876
Trypanosoma brucei cytochrome P450, putative 0.0037 0.1058 0.2268
Echinococcus granulosus single minded 2 0.0038 0.108 0.2329
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0099 0.3855 1
Trypanosoma cruzi cytochrome P450, putative 0.0037 0.1058 0.2745
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0099 0.3855 0.3111
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.1993 0.4851
Plasmodium vivax RNA helicase-1, putative 0.0099 0.3855 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0058 0.1993 0.4851
Brugia malayi hypoxia-induced factor 1 0.0157 0.6494 0.6409
Trypanosoma brucei protein kinase, putative 0.0058 0.1993 0.4851
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0099 0.3855 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.7092 0.7032
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0099 0.3855 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0051 0.1678 0.3981
Echinococcus multilocularis transfer RNA-Lys 0.0038 0.108 0.2329
Brugia malayi eukaryotic initiation factor 4A 0.0099 0.3855 0.3706
Treponema pallidum ATP-dependent RNA helicase 0.0099 0.3855 0.5
Mycobacterium ulcerans putative regulatory protein 0.0038 0.108 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0058 0.1993 0.5169
Brugia malayi hypothetical protein 0.0171 0.7092 0.7021
Schistosoma mansoni single-minded 0.0051 0.1678 0.3981
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0019 0.0238 0.0616

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid ChEMBL. 19716698

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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