Detailed information for compound 1344880

Basic information

Technical information
  • TDR Targets ID: 1344880
  • Name: 2,5-dimethyl-4-nitropyrazol-3-amine
  • MW: 156.143 | Formula: C5H8N4O2
  • H donors: 1 H acceptors: 3 LogP: 0.67 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1c(C)nn(c1N)C
  • InChi: 1S/C5H8N4O2/c1-3-4(9(10)11)5(6)8(2)7-3/h6H2,1-2H3
  • InChiKey: BSUSGJKEVOQESO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,5-dimethyl-4-nitro-pyrazol-3-amine
  • 2,5-dimethyl-4-nitro-3-pyrazolamine
  • (2,5-dimethyl-4-nitro-pyrazol-3-yl)amine
  • 1,3-dimethyl-4-nitro-1H-pyrazol-5-amine
  • MLS000851447
  • SMR000457890
  • ZINC04293741

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.015 0.0276 0.0376
Loa Loa (eye worm) oxidoreductase 0.0036 0.0024 0.0029
Echinococcus granulosus epidermal growth factor receptor 0.1794 0.3886 0.5343
Loa Loa (eye worm) hypothetical protein 0.0322 0.0654 0.0896
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0322 0.0654 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0322 0.0654 0.5
Schistosoma mansoni tyrosine kinase 0.3336 0.7274 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1068 0.2292 0.3151
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0036 0.0024 0.0033
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0322 0.0654 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0036 0.0024 0.5
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0036 0.0024 0.0012
Schistosoma mansoni tyrosine kinase 0.0033 0.0019 0.0026
Entamoeba histolytica acyl-coA synthetase, putative 0.0036 0.0024 0.5
Trichomonas vaginalis antibiotic synthetase, putative 0.0036 0.0024 0.5
Loa Loa (eye worm) hypothetical protein 0.0322 0.0654 0.0896
Echinococcus granulosus muscleblind protein 0.015 0.0276 0.038
Loa Loa (eye worm) hypothetical protein 0.015 0.0276 0.0376
Loa Loa (eye worm) hypothetical protein 0.0322 0.0654 0.0896
Schistosoma mansoni tyrosine kinase 0.1772 0.3838 0.5277
Schistosoma mansoni amine oxidase 0.0322 0.0654 0.0899
Onchocerca volvulus Tyrosine kinase homolog 0.0316 0.0641 0.9787
Echinococcus multilocularis epidermal growth factor receptor 0.3336 0.7274 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0036 0.0024 0.5
Onchocerca volvulus 0.0289 0.0582 0.8854
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0322 0.0654 0.0631
Brugia malayi TAR-binding protein 0.0064 0.0086 0.0112
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0024 0.0027
Echinococcus multilocularis geminin 0.0171 0.0321 0.0441
Loa Loa (eye worm) hypothetical protein 0.0036 0.0024 0.0029
Schistosoma mansoni tyrosine kinase 0.1794 0.3886 0.5343
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0337 0.0687 0.094
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.1068 0.2292 0.3151
Echinococcus multilocularis insulin receptor 0.1068 0.2292 0.3151
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0036 0.0024 0.0029
Echinococcus granulosus protein tyrosine kinase 0.0285 0.0571 0.0785
Brugia malayi Furin-like cysteine rich region family protein 0.3336 0.7274 1
Loa Loa (eye worm) RNA binding protein 0.0064 0.0086 0.0114
Onchocerca volvulus 0.0322 0.0654 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0322 0.0654 0.0899
Echinococcus multilocularis epidermal growth factor receptor 0.1794 0.3886 0.5343
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0027 0.0005 0.0007
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0036 0.0024 0.0012
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0086 0.0119
Brugia malayi RNA binding protein 0.0064 0.0086 0.0112
Plasmodium vivax hypothetical protein, conserved 0.0322 0.0654 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0014 0.0015
Loa Loa (eye worm) TK/INSR protein kinase 0.1068 0.2292 0.3148
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0036 0.0024 0.5
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0036 0.0024 0.0012
Echinococcus granulosus lysine specific histone demethylase 1A 0.0322 0.0654 0.0899
Toxoplasma gondii histone lysine-specific demethylase 0.0322 0.0654 1
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0036 0.0024 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0036 0.0024 0.0027
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0024 0.0012
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0036 0.0024 0.0027
Echinococcus multilocularis 0.0322 0.0654 0.0899
Entamoeba histolytica acyl-CoA synthetase, putative 0.0036 0.0024 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0024 0.0012
Echinococcus granulosus insulin receptor 0.1068 0.2292 0.3151
Plasmodium vivax hypothetical protein, conserved 0.0322 0.0654 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0036 0.0024 0.0029
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.4577 1 1
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0036 0.0024 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0056 0.0073
Brugia malayi Immunoglobulin I-set domain containing protein 0.0337 0.0687 0.0938
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0086 0.0119
Loa Loa (eye worm) TK/FAK protein kinase 0.0288 0.0578 0.0791
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0322 0.0654 0.0899
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0036 0.0024 0.0012
Echinococcus granulosus roundabout 2 0.0031 0.0014 0.0019
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0024 0.0012
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0024 0.0012
Plasmodium falciparum protoporphyrinogen oxidase 0.0322 0.0654 1
Echinococcus multilocularis protein tyrosine kinase 0.0285 0.0571 0.0785
Loa Loa (eye worm) hypothetical protein 0.0322 0.0654 0.0896
Schistosoma mansoni acetyl-CoA synthetase 0.0036 0.0024 0.0033
Loa Loa (eye worm) hypothetical protein 0.0036 0.0024 0.0029
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0024 0.0027
Echinococcus multilocularis 0.1032 0.2212 0.3041
Brugia malayi Protein kinase domain containing protein 0.1068 0.2292 0.3146
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0036 0.0024 0.0012
Trypanosoma cruzi UDP-galactopyranose mutase 0.0322 0.0654 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0322 0.0654 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0027 0.0005 0.0003
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0024 0.0027
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.1794 0.3886 0.5343
Schistosoma mansoni cell adhesion molecule 0.0026 0.0003 0.0004
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0036 0.0024 0.0012
Echinococcus multilocularis muscleblind protein 0.015 0.0276 0.038
Schistosoma mansoni tyrosine kinase 0.1068 0.2292 0.3151
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0024 0.0027
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.2855 0.6218 0.6687
Schistosoma mansoni tyrosine kinase 0.0285 0.0571 0.0785
Loa Loa (eye worm) hypothetical protein 0.0322 0.0654 0.0896
Echinococcus granulosus lysine specific histone demethylase 1A 0.0322 0.0654 0.0899
Brugia malayi Protein kinase domain containing protein 0.0288 0.0578 0.0789
Loa Loa (eye worm) TK/EGFR protein kinase 0.3336 0.7274 1
Schistosoma mansoni tyrosine kinase 0.1068 0.2292 0.3151
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0322 0.0654 1
Echinococcus multilocularis roundabout 2 0.0031 0.0014 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0086 0.0119
Mycobacterium tuberculosis Possible oxidoreductase 0.0322 0.0654 0.0691
Mycobacterium ulcerans dehydrogenase 0.0322 0.0654 0.0631
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.4255 0.9292 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0056 0.0073
Schistosoma mansoni tyrosine kinase 0.1772 0.3838 0.5277
Loa Loa (eye worm) hypothetical protein 0.0036 0.0024 0.0029
Loa Loa (eye worm) hypothetical protein 0.0031 0.0014 0.0015
Mycobacterium ulcerans monoamine oxidase 0.0322 0.0654 0.0631
Leishmania major UDP-galactopyranose mutase 0.0322 0.0654 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0022 0.0023
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0086 0.0114
Brugia malayi Muscleblind-like protein 0.015 0.0276 0.0373
Schistosoma mansoni tyrosine kinase 0.1772 0.3838 0.5277
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0036 0.0024 0.0033
Schistosoma mansoni hypothetical protein 0.0034 0.0022 0.003
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0056 0.0071
Schistosoma mansoni hypothetical protein 0.0171 0.0321 0.0441
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0024 0.0012
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0024 0.0027
Loa Loa (eye worm) hypothetical protein 0.0322 0.0654 0.0896
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0086 0.0119
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0036 0.0024 0.0012
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0086 0.0119
Schistosoma mansoni amine oxidase 0.0322 0.0654 0.0899
Loa Loa (eye worm) hypothetical protein 0.0036 0.0024 0.0029
Loa Loa (eye worm) hypothetical protein 0.0036 0.0024 0.0029
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0322 0.0654 0.0899
Schistosoma mansoni hypothetical protein 0.0171 0.0321 0.0441
Mycobacterium tuberculosis Conserved hypothetical protein 0.0322 0.0654 0.0691
Brugia malayi SWIRM domain containing protein 0.0322 0.0654 0.0893
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0027 0.0005 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0086 0.0119
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0024 0.0027
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0086 0.0112
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0322 0.0654 1
Brugia malayi hypothetical protein 0.0322 0.0654 0.0893
Echinococcus multilocularis muscleblind protein 1 0.015 0.0276 0.038
Echinococcus granulosus geminin 0.0171 0.0321 0.0441
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0056 0.0071
Mycobacterium ulcerans oxidoreductase 0.0322 0.0654 0.0631
Brugia malayi amine oxidase, flavin-containing family protein 0.0322 0.0654 0.0893
Echinococcus granulosus epidermal growth factor receptor 0.3336 0.7274 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0322 0.0654 1
Schistosoma mansoni tyrosine kinase 0.1794 0.3886 0.5343
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0086 0.0114
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0322 0.0654 0.0899
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.2855 0.6218 0.6209
Echinococcus granulosus tar DNA binding protein 0.0064 0.0086 0.0119
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0322 0.0654 1
Brugia malayi AMP-binding enzyme family protein 0.0036 0.0024 0.0027
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0026 0.0003 0.0004
Loa Loa (eye worm) TK protein kinase 0.0027 0.0005 0.0003
Loa Loa (eye worm) hypothetical protein 0.0034 0.0022 0.0025

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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