Detailed information for compound 539056

Basic information

Technical information
  • TDR Targets ID: 539056
  • Name: 2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-pyri dine-3-carbonitrile
  • MW: 269.299 | Formula: C15H15N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.74 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)c1cc(C#N)c(nc1C)N
  • InChi: 1S/C15H15N3O2/c1-9-12(6-11(8-16)15(17)18-9)10-4-5-13(19-2)14(7-10)20-3/h4-7H,1-3H3,(H2,17,18)
  • InChiKey: RASMOUCLFYYPSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-3-pyridinecarbonitrile
  • 2-azanyl-5-(3,4-dimethoxyphenyl)-6-methyl-pyridine-3-carbonitrile
  • 2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-nicotinonitrile
  • 2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
  • 2-amino-3-cyano-6-methyl-5-(3,4-dimethoxyphenyl)pyridine
  • 129090-37-5
  • 3-Pyridinecarbonitrile, 2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-
  • ACDP

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
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0089 0.0629 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.0106 1
Brugia malayi hypothetical protein 0.004 0.0081 0.067
Loa Loa (eye worm) hypothetical protein 0.0036 0.0031 0.0253
Schistosoma mansoni intermediate filament proteins 0.0061 0.0322 0.4864
Treponema pallidum hypothetical protein 0.0644 0.6896 1
Echinococcus multilocularis lamin 0.0061 0.0322 0.0292
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0089 0.0629 1
Echinococcus multilocularis musashi 0.0061 0.0322 0.0292
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0644 0.6896 1
Schistosoma mansoni lamin 0.0061 0.0322 0.4864
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0106 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0061 0.0322 0.266
Echinococcus granulosus peptidase Clp S14 family 0.0058 0.0284 0.4242
Brugia malayi hypothetical protein 0.014 0.1209 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.0898 0.743
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0089 0.0629 0.0771
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0089 0.0629 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0644 0.6896 1
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0106 0.5
Loa Loa (eye worm) hypothetical protein 0.014 0.1209 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.0106 0.5
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0644 0.6896 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0081 0.0843
Loa Loa (eye worm) hypothetical protein 0.0077 0.0497 0.4108
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0081 0.0843
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.0106 0.0875
Echinococcus granulosus lamin dm0 0.0061 0.0322 0.4864
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0089 0.0629 1
Loa Loa (eye worm) hypothetical protein 0.014 0.1209 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0058 0.0284 0.0263
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0089 0.0629 0.0771
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0058 0.0284 0.0263
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0089 0.0629 0.0771
Onchocerca volvulus Huntingtin homolog 0.014 0.1209 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0089 0.0629 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0322 0.266
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0031 0.0253
Loa Loa (eye worm) hypothetical protein 0.0089 0.0629 0.5202
Loa Loa (eye worm) hypothetical protein 0.006 0.0309 0.2555
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0644 0.6896 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0061 0.0322 0.266
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.0106 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0089 0.0629 0.5
Echinococcus granulosus intermediate filament protein 0.0061 0.0322 0.4864
Brugia malayi Probable ClpP-like protease 0.0089 0.0629 0.5202
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0089 0.0629 0.0771
Echinococcus multilocularis lamin dm0 0.0061 0.0322 0.0292
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0042 0.0106 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.0058 0.0284 0.0255
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.0106 0.1256
Echinococcus granulosus lamin 0.0061 0.0322 0.4864
Schistosoma mansoni peptidase Clp (S14 family) 0.0089 0.0629 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0081 0.0051
Schistosoma mansoni lamin 0.0061 0.0322 0.4864
Onchocerca volvulus Huntingtin homolog 0.014 0.1209 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0089 0.0629 0.06
Loa Loa (eye worm) hypothetical protein 0.0112 0.0898 0.743
Schistosoma mansoni ap endonuclease 0.0042 0.0106 0.1256
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.0106 0.0075
Loa Loa (eye worm) intermediate filament protein 0.0061 0.0322 0.266
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.0106 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.0106 0.0875
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0644 0.6896 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.0898 0.743
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.0497 0.4108
Schistosoma mansoni ap endonuclease 0.0042 0.0106 0.1256
Schistosoma mansoni hypothetical protein 0.0077 0.0497 0.779
Schistosoma mansoni hypothetical protein 0.004 0.0081 0.0843
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.0898 0.743
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0089 0.0629 0.0771
Brugia malayi intermediate filament protein 0.0061 0.0322 0.266
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0031 0.0253
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.0106 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0031 0.0253
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0089 0.0629 0.0521

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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