Detailed information for compound 544830

Basic information

Technical information
  • TDR Targets ID: 544830
  • Name: N-methyl-N-prop-2-ynyl-pentan-2-amine
  • MW: 139.238 | Formula: C9H17N
  • H donors: 0 H acceptors: 0 LogP: 2.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(N(CC#C)C)C
  • InChi: 1S/C9H17N/c1-5-7-9(3)10(4)8-6-2/h2,9H,5,7-8H2,1,3-4H3
  • InChiKey: BSNWMBHBPLPDNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-methyl-N-prop-2-ynyl-2-pentanamine
  • methyl-(1-methylbutyl)-propargyl-amine
  • N-methyl-N-prop-2-ynylpentan-2-amine
  • N-methyl-N-(2-pentyl)propargylamine
  • 143347-01-7
  • 2-Pentanamine, N-methyl-N-2-propynyl-
  • M-2-PP

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 lamin 0.0027 0.3325 1
Echinococcus granulosus lamin 0.0027 0.3325 1
Echinococcus granulosus FTZ F1 alpha 0.001 0.0268 0.0808
Echinococcus multilocularis musashi 0.0027 0.3325 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.1472 0.1472
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0268 0.0808
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.1472 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0268 0.0808
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.1472 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.1472 0.4426
Leishmania major cathepsin L-like protease 0.0063 1 1
Loa Loa (eye worm) fibroinase 0.0016 0.1472 0.3937
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0268 0.0808
Plasmodium vivax vivapain-2 0.0016 0.1472 1
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.1472 0.4426
Loa Loa (eye worm) hypothetical protein 0.0012 0.0706 0.1432
Brugia malayi steroid hormone receptor 0.001 0.0268 0.0808
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0268 0.0808
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0268 0.0808
Schistosoma mansoni intermediate filament proteins 0.0027 0.3325 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0796 0.1725
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.8997 0.8997
Loa Loa (eye worm) hypothetical protein 0.0026 0.3235 0.9707
Leishmania major cathepsin L-like protease 0.0063 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0268 0.0808
Entamoeba histolytica cysteine proteinase, putative 0.0011 0.0468 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Onchocerca volvulus 0.0027 0.3325 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Echinococcus multilocularis cysteine protease 0.0016 0.1472 0.4426
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.1472 0.3937
Loa Loa (eye worm) cysteine protease 0.0016 0.1472 0.3937
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0268 0.0808
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.1472 1
Brugia malayi nuclear receptor NHR-88 0.001 0.0268 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0268 0.0808
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0268 0.0808
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0468 0.1408
Onchocerca volvulus 0.0027 0.3325 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0268 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0268 0.0808
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.1472 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.1472 0.4426
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.1472 1
Onchocerca volvulus Cathepsin L homolog 0.0016 0.1472 0.3937
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0268 0.0808
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0268 0.0808
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0268 0.0808
Onchocerca volvulus 0.0016 0.1472 0.3937
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0268 0.0808
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0268 0.0808
Onchocerca volvulus Cathepsin L homolog 0.0016 0.1472 0.3937
Brugia malayi Cathepsin L-like precursor 0.0016 0.1472 0.4426
Loa Loa (eye worm) hypothetical protein 0.0027 0.3325 1
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.1472 0.4426
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0468 0.3182
Schistosoma mansoni lamin 0.0027 0.3325 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0268 0.0808
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0796 0.2393
Brugia malayi Cathepsin L-like cysteine proteinase 0.0011 0.0468 0.1408
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0268 0.0808
Schistosoma mansoni thyroid hormone receptor 0.001 0.0268 0.0808
Brugia malayi ecdysteroid receptor 0.001 0.0268 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0268 0.0808
Brugia malayi nuclear hormone receptor 0.001 0.0268 0.0808
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.1472 0.4426
Onchocerca volvulus 0.0016 0.1472 0.3937
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.1472 0.4426
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0268 0.0808
Echinococcus granulosus lamin dm0 0.0027 0.3325 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0268 0.0808
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.1472 1
Echinococcus granulosus cathepsin l1 0.0011 0.0468 0.1408
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0796 0.2393
Echinococcus multilocularis lamin 0.0027 0.3325 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0268 0.0808
Brugia malayi cathepsin L-like precursor 0.0011 0.0468 0.1408
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.1472 0.4426
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.1055 0.2574
Loa Loa (eye worm) hypothetical protein 0.0012 0.0706 0.1432
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0268 0.0808
Brugia malayi Cathepsin L-like precursor 0.0011 0.0468 0.1408
Loa Loa (eye worm) hypothetical protein 0.0011 0.0468 0.0654
Trypanosoma cruzi cysteine peptidase, putative 0.0063 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.1472 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.7525 0.7525
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.1472 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.3325 1
Trypanosoma cruzi cysteine peptidase, putative 0.0063 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.1472 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0268 0.0808
Brugia malayi Cathepsin L-like precursor 0.0016 0.1472 0.4426
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.1472 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0268 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0268 0.0808
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.1472 0.4426
Onchocerca volvulus 0.0016 0.1472 0.3937
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0268 0.0808
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0268 0.0808
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.1472 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0268 0.0808
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0268 0.0808
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.3325 1
Brugia malayi intermediate filament protein 0.0027 0.3325 1
Schistosoma mansoni coup transcription factor 0.001 0.0268 0.0808
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0468 0.0654
Onchocerca volvulus 0.0016 0.1472 0.3937
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.1055 0.3174
Echinococcus multilocularis lamin dm0 0.0027 0.3325 1
Onchocerca volvulus 0.0011 0.0468 0.0654
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.1472 0.3937
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0268 0.0808
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0268 0.0808
Onchocerca volvulus 0.0016 0.1472 0.3937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.1472 1
Loa Loa (eye worm) ctsf protein 0.0016 0.1472 0.3937
Trypanosoma cruzi cruzipain precursor, putative 0.0063 1 1
Onchocerca volvulus 0.0016 0.1472 0.3937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.1472 0.4426
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.1472 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.1472 0.3937
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.1472 1
Onchocerca volvulus 0.0016 0.1472 0.3937
Toxoplasma gondii cathepsin CPL 0.0016 0.1472 0.5
Plasmodium vivax vivapain-2 0.0016 0.1472 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.1472 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0268 0.0808
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0268 0.0808
Loa Loa (eye worm) hypothetical protein 0.0011 0.0468 0.0654
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.3325 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.1472 0.4426
Trypanosoma cruzi cysteine peptidase, putative 0.0063 1 1
Entamoeba histolytica cysteine protease, putative 0.0016 0.1472 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0268 0.0808
Brugia malayi Cathepsin L-like precursor 0.0016 0.1472 0.4426
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0468 0.3182
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0268 0.0808
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Echinococcus granulosus cathepsin l1 0.0016 0.1472 0.4426
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0268 0.0808
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0268 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0268 0.0808
Brugia malayi Cathepsin L-like precursor 0.0011 0.0468 0.1408
Onchocerca volvulus Cathepsin F homolog 0.0016 0.1472 0.3937
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0268 0.0808
Echinococcus multilocularis cysteine protease 0.0016 0.1472 0.4426
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0268 0.0808
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0268 0.0808
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Echinococcus granulosus intermediate filament protein 0.0027 0.3325 1
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.1472 0.4426
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.1472 0.4426
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.1472 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0268 0.0808
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0268 0.0808
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.1472 1

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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