Detailed information for compound 91258

Basic information

Technical information
  • TDR Targets ID: 91258
  • Name: 3-methylpyridin-2-amine
  • MW: 108.141 | Formula: C6H8N2
  • H donors: 1 H acceptors: 1 LogP: 0.87 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccnc1N
  • InChi: 1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
  • InChiKey: RGDQRXPEZUNWHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methyl-2-pyridinamine
  • (3-methyl-2-pyridyl)amine
  • 2-amino-3-methylpyridine
  • 1603-40-3
  • 2-AMINO-3-METHYL-PYRIDINE
  • InChI=1/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8
  • AIDS-020432
  • AIDS020432
  • 2-Amino-.beta.-picoline
  • 2-Amino-3-picoline
  • 2-Pyridinamine, 3-methyl-
  • 3-Methyl-2-aminopyridine
  • 3-Picoline, 2-amino-
  • NSC450
  • Pyridine, 2-amino-3-methyl-
  • WLN: T6NJ BZ C1
  • SBB004356
  • A75633_ALDRICH
  • 2-Amino-beta-picoline
  • 3-Methyl-2-pyridylamine
  • 3-Picoline, 2-amino- (8CI)
  • AI3-14684
  • EINECS 216-501-4
  • NSC 450

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 2, inducible Starlite/ChEMBL References
Homo sapiens nitric oxide synthase 1 (neuronal) Starlite/ChEMBL References
Homo sapiens nitric oxide synthase 3 (endothelial cell) Starlite/ChEMBL References

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
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0018 0.0061
Onchocerca volvulus 0.0035 0.0018 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1808 0.4229
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.4275 1
Plasmodium falciparum nitric oxide synthase, putative 0.0091 0.2961 1
Brugia malayi TAR-binding protein 0.0061 0.138 0.3229
Loa Loa (eye worm) hypothetical protein 0.0035 0.0018 0.0043
Leishmania major p450 reductase, putative 0.0091 0.2961 1
Brugia malayi beta-lactamase family protein 0.0035 0.0018 0.0043
Schistosoma mansoni hypothetical protein 0.018 0.7605 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0056 0.1127 0.2635
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0749 0.2529
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0091 0.2961 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0018 0.0043
Brugia malayi hypothetical protein 0.0049 0.0749 0.1751
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0018 0.0043
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0091 0.2961 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0018 0.0043
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0091 0.2961 1
Entamoeba histolytica type A flavoprotein, putative 0.0035 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.138 0.3229
Mycobacterium leprae Probable lipase LipE 0.0035 0.0018 0.5
Loa Loa (eye worm) beta-lactamase 0.0035 0.0018 0.0043
Echinococcus granulosus methionine synthase reductase 0.0056 0.1127 0.1461
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0091 0.2961 0.3879
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0091 0.2961 0.3879
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0091 0.2961 1
Trypanosoma cruzi p450 reductase, putative 0.0091 0.2961 1
Brugia malayi FAD binding domain containing protein 0.0091 0.2961 0.6926
Schistosoma mansoni hypothetical protein 0.0069 0.1808 0.2359
Brugia malayi beta-lactamase 0.0035 0.0018 0.0043
Schistosoma mansoni cytochrome P450 reductase 0.0091 0.2961 0.3879
Leishmania major hypothetical protein, conserved 0.0035 0.0018 0.0061
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0749 0.2529
Echinococcus multilocularis tar DNA binding protein 0.0061 0.138 0.1795
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0018 0.0061
Giardia lamblia Nitric oxide synthase, inducible 0.0081 0.2416 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0018 0.0061
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.3494 0.8172
Brugia malayi flavodoxin family protein 0.0091 0.2961 0.6926
Entamoeba histolytica type A flavoprotein, putative 0.0035 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0018 0.0043
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0091 0.2961 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.138 0.3229
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0081 0.2416 0.8159
Echinococcus multilocularis methionine synthase reductase 0.0056 0.1127 0.1461
Echinococcus multilocularis geminin 0.018 0.7605 1
Trichomonas vaginalis esterase, putative 0.0035 0.0018 0.0061
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.4275 1
Brugia malayi RNA binding protein 0.0061 0.138 0.3229
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0018 0.0061
Echinococcus granulosus geminin 0.018 0.7605 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0018 0.0061
Entamoeba histolytica type A flavoprotein, putative 0.0035 0 0.5
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0056 0.1127 0.1461
Plasmodium vivax flavodoxin domain containing protein 0.0081 0.2416 0.8159
Schistosoma mansoni tar DNA-binding protein 0.0061 0.138 0.1795
Trichomonas vaginalis sulfite reductase, putative 0.0091 0.2961 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0091 0.2961 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0018 0.0061
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0749 0.1751
Loa Loa (eye worm) hypothetical protein 0.0035 0.0018 0.0043
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0091 0.2961 1
Onchocerca volvulus 0.0035 0.0018 0.5
Brugia malayi MH2 domain containing protein 0.0117 0.4275 1
Echinococcus granulosus tar DNA binding protein 0.0061 0.138 0.1795
Loa Loa (eye worm) hypothetical protein 0.0069 0.1808 0.4229
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0018 0.0043
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0749 0.2529
Brugia malayi beta-lactamase family protein 0.0035 0.0018 0.0043
Loa Loa (eye worm) TAR-binding protein 0.0061 0.138 0.3229
Schistosoma mansoni tar DNA-binding protein 0.0061 0.138 0.1795
Schistosoma mansoni tar DNA-binding protein 0.0061 0.138 0.1795
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0018 0.0061
Loa Loa (eye worm) hypothetical protein 0.0091 0.2961 0.6926
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0091 0.2961 1
Entamoeba histolytica type A flavoprotein, putative 0.0035 0 0.5
Brugia malayi FAD binding domain containing protein 0.0056 0.1127 0.2635
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0749 0.2529
Schistosoma mansoni tar DNA-binding protein 0.0061 0.138 0.1795
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0749 0.2529
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.3494 0.8172
Leishmania major hypothetical protein, conserved 0.0049 0.0749 0.2529
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0018 0.0061
Leishmania major cytochrome P450 reductase, putative 0.0081 0.2416 0.8159
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0091 0.2961 1
Entamoeba histolytica type A flavoprotein, putative 0.0035 0 0.5
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0091 0.2961 0.3879
Schistosoma mansoni tar DNA-binding protein 0.0061 0.138 0.1795
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0749 1
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0749 0.2529
Loa Loa (eye worm) RNA binding protein 0.0061 0.138 0.3229
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.3494 0.8172
Loa Loa (eye worm) hypothetical protein 0.0102 0.3494 0.8172
Toxoplasma gondii flavodoxin domain-containing protein 0.0045 0.0545 0.7213
Toxoplasma gondii flavodoxin domain-containing protein 0.0045 0.0545 0.7213
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0091 0.2961 0.3879
Schistosoma mansoni hypothetical protein 0.018 0.7605 1
Chlamydia trachomatis sulfite reductase 0.0056 0.1127 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0018 0.0061
Loa Loa (eye worm) FAD binding domain-containing protein 0.0091 0.2961 0.6926
Treponema pallidum flavodoxin 0.0035 0 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0091 0.2961 1
Schistosoma mansoni diflavin oxidoreductase 0.0045 0.0545 0.0695
Onchocerca volvulus 0.0035 0.0018 0.5
Schistosoma mansoni NADPH flavin oxidoreductase 0.0046 0.0582 0.0743
Giardia lamblia Hypothetical protein 0.0081 0.2416 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0018 0.0043

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.94 uM Inhibitory activity against inducible nitric oxide synthase (iNOS) ChEMBL. 10987430
IC50 (binding) = 0.94 uM Inhibitory activity against inducible nitric oxide synthase (iNOS) ChEMBL. 10987430
IC50 (binding) = 1.2 uM Inhibitory activity against endothelial nitric oxide synthase (eNOS) ChEMBL. 10987430
IC50 (binding) = 1.2 uM Inhibitory activity against endothelial nitric oxide synthase (eNOS) ChEMBL. 10987430
IC50 (binding) = 1.3 uM Inhibitory activity against neuronal nitric oxide synthase ChEMBL. 10987430
IC50 (binding) = 1.3 uM Inhibitory activity against neuronal nitric oxide synthase ChEMBL. 10987430
Selectivity (binding) 0 Selectivity for inhibition of inducible nitric oxide synthases to that of inhibition of endothelial cell nitric oxide synthases; Not determined ChEMBL. 10987430
Selectivity (binding) 0 Selectivity for inhibition of neuronal nitric oxide synthases to that of inhibition of inducible nitric oxide synthases; Not determined ChEMBL. 10987430

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

1 literature reference was collected for this gene.

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