Detailed information for compound 1456865

Basic information

Technical information
  • TDR Targets ID: 1456865
  • Name: 2,5-dimethyl-4-nitro-N-[4-(pyrazol-1-ylmethyl )phenyl]pyrazole-3-carboxamide
  • MW: 340.337 | Formula: C16H16N6O3
  • H donors: 1 H acceptors: 5 LogP: 1.54 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1n(C)nc(c1[N+](=O)[O-])C)Nc1ccc(cc1)Cn1cccn1
  • InChi: 1S/C16H16N6O3/c1-11-14(22(24)25)15(20(2)19-11)16(23)18-13-6-4-12(5-7-13)10-21-9-3-8-17-21/h3-9H,10H2,1-2H3,(H,18,23)
  • InChiKey: PAXQVWMFGBWZFG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,5-dimethyl-4-nitro-N-[4-(1-pyrazolylmethyl)phenyl]-3-pyrazolecarboxamide
  • ZINC00374572
  • 4-nitro-1,3-dimethyl-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
  • MLS000538654
  • SMR000160144

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) transcription factor SMAD2 0.0253 0.6686 0.6686
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1456 0.1456
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0149 0.3833 1
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0016 0.0199 0.0199
Plasmodium vivax ornithine aminotransferase, putative 0.0021 0.0339 1
Echinococcus granulosus Smad4 0.0017 0.0231 0.0231
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0016 0.0199 0.0199
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.6686 0.6686
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0187 0.5529
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0016 0.0199 0.0199
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0187 0.0187
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0016 0.0199 0.0199
Loa Loa (eye worm) RNA binding protein 0.0062 0.1456 0.1456
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0187 0.5
Brugia malayi hypothetical protein 0.0016 0.0199 0.0199
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1456 0.1456
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0021 0.0339 0.0415
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0016 0.0199 0.0199
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1456 0.1456
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0187 0.0187
Brugia malayi MH2 domain containing protein 0.0017 0.0231 0.0231
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0231 0.0231
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0375 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0199
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0199 0.0199
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0339 0.0339
Echinococcus granulosus ornithine aminotransferase 0.0021 0.0339 0.0339
Brugia malayi MH1 domain containing protein 0.0017 0.0231 0.0231
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1456 0.1456
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0375 1 1
Plasmodium falciparum ornithine aminotransferase 0.0021 0.0339 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0187 0.0187
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0016 0.0199 0.0199
Loa Loa (eye worm) pax transcription factor protein 2 0.0249 0.6563 0.6563
Entamoeba histolytica G protein alpha subunit, putative 0.0016 0.0199 0.5
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0199 0.0199
Echinococcus multilocularis expressed protein 0.0016 0.0199 0.0199
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0231 0.0231
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0199 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0375 1 1
Schistosoma mansoni smad1 5 8 and 0.0017 0.0231 0.0231
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0375 1 1
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0016 0.0199 0.0199
Brugia malayi MH1 domain containing protein 0.001 0.002 0.002
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0231 0.0231
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0375 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0187 0.0187
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0016 0.0199 0.0199
Schistosoma mansoni smad1 5 8 and 0.0017 0.0231 0.0231
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0375 1 1
Echinococcus granulosus Aminotransferase class III 0.0021 0.0339 0.0339
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0021 0.0339 0.5
Loa Loa (eye worm) G protein alpha subunit 3 0.0016 0.0199 0.0199
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0016 0.0199 0.0199
Schistosoma mansoni smad1 5 8 and 0.0017 0.0231 0.0231
Onchocerca volvulus 0.0016 0.0199 0.0304
Schistosoma mansoni GTP-binding protein alpha subunit 0.0016 0.0199 0.0199
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1456 0.1456
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0375 1 1
Brugia malayi isocitrate dehydrogenase 0.0016 0.0187 0.0187
Onchocerca volvulus 0.0016 0.0199 0.0304
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0149 0.3833 1
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0016 0.0199 0.0199
Onchocerca volvulus 0.0249 0.6563 1
Schistosoma mansoni smad 0.0017 0.0231 0.0231
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1456 0.1456
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0187 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0339 0.0339
Brugia malayi TAR-binding protein 0.0062 0.1456 0.1456
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0021 0.0339 0.0339
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0021 0.0339 0.0415
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0187 0.5
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0016 0.0199 0.0199
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0016 0.0199 0.0199
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0199
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1456 0.1456
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0199
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0231 0.0231
Brugia malayi Pax transcription factor protein 2 0.0249 0.6563 0.6563
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0016 0.0199 0.0199
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0016 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.001 0.002 0.002
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0016 0.0199 0.0199
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0016 0.0199 0.0199
Loa Loa (eye worm) nuclear factor I 0.001 0.002 0.002
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0016 0.0199 0.0199
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0187 0.5529
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0016 0.0199 0.0199
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0187 0.0187
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0199 0.0199
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0179 0.4647 0.7081
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0016 0.0199 0.0199
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0187 0.0187
Echinococcus granulosus tar DNA binding protein 0.0062 0.1456 0.1456
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0187 0.0187
Brugia malayi MH1 domain containing protein 0.001 0.002 0.002
Brugia malayi MH1 domain containing protein 0.0017 0.0231 0.0231
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0187 0.0187
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0016 0.0199 0.0199
Mycobacterium ulcerans hypothetical protein 0.0149 0.3833 1
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0016 0.0199 0.0199
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0016 0.0199 0.0199
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0021 0.0339 0.0415
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0231 0.0231
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0187 0.0187
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0149 0.3833 1
Echinococcus multilocularis Aminotransferase class III 0.0021 0.0339 0.0339
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0187 0.5
Brugia malayi Smad1 0.0017 0.0231 0.0231
Brugia malayi RNA binding protein 0.0062 0.1456 0.1456
Loa Loa (eye worm) hypothetical protein 0.0179 0.4647 0.4647
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0021 0.0339 0.0415
Echinococcus granulosus expressed protein 0.0016 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0199
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0016 0.0199 0.0199
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1456 0.1456
Echinococcus granulosus smad 0.0017 0.0231 0.0231
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0199 0.0199
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0231 0.0231
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0231 0.0231
Echinococcus multilocularis Smad4 0.0017 0.0231 0.0231
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1456 0.1456
Brugia malayi MH2 domain containing protein 0.0017 0.0231 0.0231
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0149 0.3833 1
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0016 0.0199 0.0199
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0016 0.0199 0.0199
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0021 0.0339 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0199 0.0199
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0375 1 1
Echinococcus multilocularis smad 0.0017 0.0231 0.0231
Brugia malayi N-terminal motif family protein 0.0179 0.4647 0.4647
Brugia malayi G-protein alpha subunit 0.0016 0.0199 0.0199
Onchocerca volvulus 0.0016 0.0199 0.0304
Loa Loa (eye worm) Smad1 0.0017 0.0231 0.0231
Brugia malayi MH2 domain containing protein 0.0253 0.6686 0.6686
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0016 0.0199 0.0199
Mycobacterium tuberculosis Probable aminotransferase 0.0149 0.3833 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0021 0.0339 0.5
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0016 0.0199 0.0199
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0187 0.5
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0021 0.0339 0.0339
Schistosoma mansoni Smad4 0.0017 0.0231 0.0231
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0016 0.0199 0.0199
Schistosoma mansoni GTP-binding protein alpha subunit 0.0016 0.0199 0.0199

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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