Detailed information for compound 1606882

Basic information

Technical information
  • TDR Targets ID: 1606882
  • Name: 2-(3,4-dimethylphenoxy)-N-(5-nitropyridin-2-y l)acetamide
  • MW: 301.297 | Formula: C15H15N3O4
  • H donors: 1 H acceptors: 4 LogP: 2.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cn1)[N+](=O)[O-])COc1ccc(c(c1)C)C
  • InChi: 1S/C15H15N3O4/c1-10-3-5-13(7-11(10)2)22-9-15(19)17-14-6-4-12(8-16-14)18(20)21/h3-8H,9H2,1-2H3,(H,16,17,19)
  • InChiKey: QOQYKTJGAGONQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3,4-dimethylphenoxy)-N-(5-nitro-2-pyridyl)acetamide
  • 2-(3,4-dimethylphenoxy)-N-(5-nitropyridin-2-yl)ethanamide
  • 2-(3,4-dimethylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide
  • MLS000580144
  • SMR000199675
  • STK255594
  • AN-979/41436418

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0209 0.0761 0.0068
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0542 0.3099 1
Schistosoma mansoni hypothetical protein 0.0542 0.3099 0.2581
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0542 0.3099 0.2921
Echinococcus multilocularis zinc finger protein Ran binding 0.0542 0.3099 0.3099
Loa Loa (eye worm) hypothetical protein 0.0542 0.3099 0.2728
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0542 0.3099 0.234
Echinococcus granulosus ring and YY1 binding protein 0.0542 0.3099 0.2921
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0542 0.3099 0.2581
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0242 0.0991 0.0991
Schistosoma mansoni hypothetical protein 0.1522 1 1
Onchocerca volvulus 0.0542 0.3099 0.2581
Trypanosoma cruzi hypothetical protein, conserved 0.0542 0.3099 1
Trypanosoma cruzi hypothetical protein, conserved 0.0542 0.3099 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0542 0.3099 0.184
Loa Loa (eye worm) hypothetical protein 0.0242 0.0991 0.0507
Trypanosoma cruzi WLM domain containing protein, putative 0.0542 0.3099 1
Schistosoma mansoni fusion 0.0542 0.3099 0.2581
Echinococcus granulosus poly adp ribose polymerase 2 0.0242 0.0991 0.0759
Trypanosoma brucei hypothetical protein, conserved 0.0542 0.3099 1
Loa Loa (eye worm) hypothetical protein 0.0542 0.3099 0.2728
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0542 0.3099 0.3099
Schistosoma mansoni hypothetical protein 0.1522 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.1522 1 1
Loa Loa (eye worm) hypothetical protein 0.02 0.0698 0.0199
Loa Loa (eye worm) hypothetical protein 0.0209 0.0759 0.0262
Schistosoma mansoni zinc finger protein 0.0542 0.3099 0.2581
Onchocerca volvulus 0.1522 1 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0542 0.3099 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0314 0.1499 0.0861
Loa Loa (eye worm) hypothetical protein 0.0542 0.3099 0.2728
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0542 0.3099 0.234
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.1522 1 1
Echinococcus multilocularis ring and YY1 binding protein 0.0542 0.3099 0.3099
Loa Loa (eye worm) brahma associated protein 0.1522 1 1
Schistosoma mansoni brg-1 associated factor 0.1522 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.1522 1 1
Schistosoma mansoni hypothetical protein 0.1522 1 1
Loa Loa (eye worm) hypothetical protein 0.0542 0.3099 0.2728
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0242 0.0991 0.0315
Leishmania major hypothetical protein, conserved 0.0542 0.3099 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1522 1 0.5
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0314 0.1499 0.1499
Leishmania major hypothetical protein, conserved 0.0542 0.3099 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.1522 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.1522 1 1
Brugia malayi YY1-associated factor 2 0.0542 0.3099 0.234
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0542 0.3099 1
Schistosoma mansoni RNA binding protein 0.0542 0.3099 0.2581
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0542 0.3099 1
Echinococcus multilocularis tumor protein p63 0.1369 0.8918 0.8918
Toxoplasma gondii ran binding protein 0.0542 0.3099 0.184
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.1522 1 0.5
Onchocerca volvulus 0.0542 0.3099 0.2581
Echinococcus granulosus poly ADP ribose polymerase 1 0.0314 0.1499 0.128
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0314 0.1499 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0542 0.3099 1
Schistosoma mansoni TRABID protein (C64 family) 0.0542 0.3099 0.2581
Leishmania major hypothetical protein, conserved 0.0542 0.3099 0.5
Echinococcus granulosus Zinc finger RanBP2 type 0.0542 0.3099 0.2921
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.1522 1 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0542 0.3099 0.3099
Brugia malayi brahma associated protein 60 kDa 0.1522 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0542 0.3099 0.234
Chlamydia trachomatis SWIB complex protein 0.1522 1 0.5
Chlamydia trachomatis DNA topoisomerase I 0.1522 1 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.1522 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.1522 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.1522 1 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0542 0.3099 1
Echinococcus multilocularis SWI:SNF matrix associated 0.1522 1 1
Leishmania major hypothetical protein, conserved 0.0542 0.3099 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0542 0.3099 1
Brugia malayi WGR domain containing protein 0.0314 0.1499 0.0564
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0542 0.3099 0.234
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.1522 1 1
Onchocerca volvulus 0.0542 0.3099 0.2581
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0542 0.3099 1
Brugia malayi SWIB/MDM2 domain containing protein 0.1522 1 1
Loa Loa (eye worm) hypothetical protein 0.0542 0.3099 0.2728
Echinococcus granulosus tumor protein p63 0.1369 0.8918 0.889
Onchocerca volvulus 0.0542 0.3099 0.2581
Trypanosoma brucei hypothetical protein, conserved 0.0542 0.3099 1
Plasmodium vivax hypothetical protein, conserved 0.1522 1 0.5
Leishmania major hypothetical protein, conserved 0.0542 0.3099 0.5
Echinococcus granulosus zinc finger protein Ran binding 0.0542 0.3099 0.2921
Trypanosoma cruzi WLM domain containing protein, putative 0.0542 0.3099 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 47.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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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