Detailed information for compound 842858

Basic information

Technical information
  • TDR Targets ID: 842858
  • Name: 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazo lo[1,5-a]pyrimidin-6-yl]-N-(3-methylphenyl)pr opanamide
  • MW: 338.407 | Formula: C18H22N6O
  • H donors: 2 H acceptors: 4 LogP: 1.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1nc2n(n1)c(C)c(c(n2)C)CCC(=O)Nc1cccc(c1)C
  • InChi: 1S/C18H22N6O/c1-11-5-4-6-14(9-11)21-17(25)8-7-15-12(2)20-18-22-16(10-19)23-24(18)13(15)3/h4-6,9H,7-8,10,19H2,1-3H3,(H,21,25)
  • InChiKey: DRNATNCPLRNOAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylphenyl)propionamide

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) steroid hormone receptor 0.0032 0.004 0.0061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.004 0.0061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1042 0.1006
Loa Loa (eye worm) hypothetical protein 0.0032 0.004 0.0061
Plasmodium falciparum nitric oxide synthase, putative 0.0082 0.3829 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0118 0.6527 1
Brugia malayi steroid hormone receptor 0.0032 0.004 0.0061
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0043 0.0837 0.1282
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.004 0.0061
Trichomonas vaginalis sulfite reductase, putative 0.0082 0.3829 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0083 0.3868 0.3844
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.0837 0.1282
Loa Loa (eye worm) hypothetical protein 0.0032 0.004 0.0061
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0051 0.1457 0.1423
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.004 0.0061
Leishmania major cytochrome P450 reductase, putative 0.0073 0.3124 0.4786
Brugia malayi nuclear receptor NHR-88 0.0032 0.004 0.0061
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0043 0.0837 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0837 0.1282
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0082 0.3829 0.5866
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1042 0.1006
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.0837 0.2186
Plasmodium falciparum polyprenol reductase, putative 0.0043 0.0837 0.2186
Plasmodium vivax flavodoxin domain containing protein 0.0073 0.3124 0.8159
Brugia malayi ecdysteroid receptor 0.0032 0.004 0.0061
Chlamydia trachomatis sulfite reductase 0.0051 0.1457 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0171 0.0132
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.0837 0.1282
Giardia lamblia Hypothetical protein 0.0073 0.3124 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0043 0.0837 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0043 0.0837 0.2186
Leishmania major carbonic anhydrase-like protein 0.0118 0.6527 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1042 0.1596
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.0837 0.2186
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.004 0.0061
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0082 0.3829 0.5866
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1042 0.1006
Loa Loa (eye worm) hypothetical protein 0.0083 0.3868 0.5926
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0043 0.0837 0.08
Loa Loa (eye worm) hypothetical protein 0.0082 0.3829 0.5866
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.004 0.0061
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.004 0.0061
Brugia malayi flavodoxin family protein 0.0082 0.3829 0.5866
Schistosoma mansoni hypothetical protein 0.0164 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0118 0.6527 1
Brugia malayi Carboxylesterase family protein 0.0083 0.3868 0.5926
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1042 0.1596
Brugia malayi FAD binding domain containing protein 0.0082 0.3829 0.5866
Loa Loa (eye worm) hypothetical protein 0.0032 0.004 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.004 0.0061
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0043 0.0837 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0043 0.0837 0.2186
Schistosoma mansoni diflavin oxidoreductase 0.0041 0.0705 0.0668
Echinococcus granulosus synaptic glycoprotein sc2 0.0043 0.0837 0.08
Entamoeba histolytica hypothetical protein 0.0043 0.0837 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.0837 0.2186
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0082 0.3829 0.5866
Loa Loa (eye worm) hypothetical protein 0.0032 0.004 0.0061
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.0837 0.2186
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0043 0.0837 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.004 0.0061
Loa Loa (eye worm) hypothetical protein 0.0032 0.004 0.0061
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.004 0.0061
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0082 0.3829 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0837 0.1282
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.004 0.0061
Echinococcus multilocularis synaptic glycoprotein sc2 0.0043 0.0837 0.08
Echinococcus multilocularis carbonic anhydrase II 0.0118 0.6527 0.6514
Brugia malayi Carboxylesterase family protein 0.0083 0.3868 0.5926
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0837 0.2186
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1042 0.1006
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.004 0.0061
Echinococcus multilocularis methionine synthase reductase 0.0051 0.1457 0.1423
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.004 0.0061
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0082 0.3829 0.3804
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.004 0.0061
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0118 0.6527 1
Echinococcus multilocularis acetylcholinesterase 0.0083 0.3868 0.3844
Echinococcus multilocularis acetylcholinesterase 0.0083 0.3868 0.3844
Echinococcus multilocularis geminin 0.0164 1 1
Loa Loa (eye worm) carboxylesterase 0.0083 0.3868 0.5926
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0171 0.0263
Schistosoma mansoni NADPH flavin oxidoreductase 0.0042 0.0752 0.0715
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0043 0.0837 0.1282
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0082 0.3829 0.5866
Loa Loa (eye worm) hypothetical protein 0.0043 0.0837 0.1282
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0082 0.3829 0.5866
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0118 0.6527 0.6514
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0082 0.3829 0.5866
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0043 0.0837 0.2186
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1042 0.1006
Plasmodium vivax polyprenol reductase, putative 0.0043 0.0837 0.2186
Echinococcus granulosus acetylcholinesterase 0.0083 0.3868 0.3844
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.0837 0.2186
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.004 0.0061
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0043 0.0837 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.004 0.0061
Loa Loa (eye worm) acetylcholinesterase 1 0.0083 0.3868 0.5926
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0118 0.6527 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1349 0.2066
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1042 0.1006
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0118 0.6527 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.004 0.0061
Echinococcus granulosus carboxylesterase 5A 0.0083 0.3868 0.3844
Loa Loa (eye worm) hypothetical protein 0.0032 0.004 0.0061
Trypanosoma cruzi p450 reductase, putative 0.0082 0.3829 0.5866
Treponema pallidum flavodoxin 0.0032 0 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0118 0.6527 1
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.0837 0.1282
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0073 0.3124 0.8159
Schistosoma mansoni hypothetical protein 0.0164 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.004 0.0061
Loa Loa (eye worm) hypothetical protein 0.0034 0.0171 0.0263
Onchocerca volvulus 0.0043 0.0837 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1349 0.2066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.004 0.0061
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0082 0.3829 0.3804
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.004 0.0061
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0043 0.0837 0.08
Echinococcus granulosus carbonic anhydrase II 0.0118 0.6527 0.6514
Schistosoma mansoni cytochrome P450 reductase 0.0082 0.3829 0.3804
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0082 0.3829 0.3463
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0043 0.0837 0.1282
Brugia malayi FAD binding domain containing protein 0.0051 0.1457 0.2232
Loa Loa (eye worm) hypothetical protein 0.0032 0.004 0.0061
Loa Loa (eye worm) FAD binding domain-containing protein 0.0082 0.3829 0.5866
Echinococcus granulosus methionine synthase reductase 0.0051 0.1457 0.1423
Mycobacterium ulcerans carboxylesterase, LipT 0.0157 0.9477 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.004 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.004 0.0061
Leishmania major p450 reductase, putative 0.0082 0.3829 0.5866
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.004 0.0061
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0043 0.0837 0.08
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0837 0.2186
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.0837 0.1282
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0082 0.3829 0.5866
Trypanosoma brucei carbonic anhydrase-like protein 0.0118 0.6527 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0082 0.3829 0.5866
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0082 0.3829 0.3804
Mycobacterium tuberculosis Carboxylesterase LipT 0.0157 0.9477 0.5
Echinococcus granulosus acetylcholinesterase 0.0083 0.3868 0.3844
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1042 0.1006
Brugia malayi nuclear hormone receptor 0.0032 0.004 0.0061
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.004 0.0061
Loa Loa (eye worm) hypothetical protein 0.0083 0.3868 0.5926
Brugia malayi Synaptic glycoprotein SC2 0.0043 0.0837 0.1282
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0043 0.0837 0.08
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0118 0.6527 0.6514
Giardia lamblia Nitric oxide synthase, inducible 0.0073 0.3124 1
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0043 0.0837 0.2186
Echinococcus multilocularis carboxylesterase 5A 0.0083 0.3868 0.3844
Loa Loa (eye worm) FAD binding domain-containing protein 0.0051 0.1457 0.2232
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0082 0.3829 0.3804
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1349 0.2066
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0043 0.0837 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1349 0.2066
Loa Loa (eye worm) hypothetical protein 0.0032 0.004 0.0061

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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