Detailed information for compound 1451575

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 269.299 | Formula: C15H15N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.88 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O
  • InChi: 1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,20H,1-2H3,(H,16,19)/b18-17+
  • InChiKey: PXOZAFXVEWKXED-ISLYRVAYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aryl hydrocarbon receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133500 All targets in OG5_133500
Echinococcus granulosus aryl hydrocarbon receptor Get druggable targets OG5_133500 All targets in OG5_133500
Schistosoma japonicum ko:K09093 aryl hydrocarbon receptor, putative Get druggable targets OG5_133500 All targets in OG5_133500
Onchocerca volvulus Get druggable targets OG5_133500 All targets in OG5_133500
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133500 All targets in OG5_133500
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133500 All targets in OG5_133500
Brugia malayi aryl hydrocarbon receptor AHR-1 Get druggable targets OG5_133500 All targets in OG5_133500
Schistosoma japonicum IPR001189,Manganese and iron superoxide dismutase,domain-containing Get druggable targets OG5_133500 All targets in OG5_133500
Schistosoma mansoni aryl hydrocarbon receptor Get druggable targets OG5_133500 All targets in OG5_133500
Echinococcus multilocularis aryl hydrocarbon receptor Get druggable targets OG5_133500 All targets in OG5_133500
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
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0188 0.1509 0.3431
Echinococcus granulosus tar DNA binding protein 0.0193 0.1577 0.3585
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0259 0.2503 0.2503
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0188 0.1509 0.1509
Schistosoma mansoni hypothetical protein 0.0177 0.1345 0.7244
Brugia malayi TAR-binding protein 0.0193 0.1577 0.1577
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0095 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0095 0.0191 0.0191
Brugia malayi latrophilin 2 splice variant baaae 0.0177 0.1345 0.1345
Schistosoma mansoni tar DNA-binding protein 0.0193 0.1577 0.8494
Loa Loa (eye worm) hypothetical protein 0.0177 0.1345 0.1345
Brugia malayi Choline O-acetyltransferase 0.0095 0.0191 0.0191
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0188 0.1509 0.3132
Loa Loa (eye worm) hypothetical protein 0.0139 0.0808 0.0808
Brugia malayi RNA binding protein 0.0193 0.1577 0.1577
Loa Loa (eye worm) TAR-binding protein 0.0193 0.1577 0.1577
Echinococcus granulosus choline O acetyltransferase 0.0095 0.0191 0.0435
Brugia malayi Calcitonin receptor-like protein seb-1 0.0259 0.2503 0.2503
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0188 0.1509 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0193 0.1577 0.1577
Loa Loa (eye worm) hypothetical protein 0.0158 0.1078 0.1078
Echinococcus multilocularis choline O acetyltransferase 0.0095 0.0191 0.0435
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0095 0.0191 0.0191
Schistosoma mansoni aryl hydrocarbon receptor 0.0213 0.1856 1
Echinococcus multilocularis tar DNA binding protein 0.0193 0.1577 0.3585
Schistosoma mansoni choline o-acyltransferase 0.0095 0.0191 0.103
Echinococcus multilocularis aryl hydrocarbon receptor 0.0159 0.1087 0.2471
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0393 0.4399 1
Loa Loa (eye worm) RNA binding protein 0.0193 0.1577 0.1577
Schistosoma mansoni tar DNA-binding protein 0.0193 0.1577 0.8494
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0188 0.1509 0.3431
Schistosoma mansoni choline o-acyltransferase 0.0095 0.0191 0.103
Brugia malayi Choline O-acetyltransferase 0.0095 0.0191 0.0191
Echinococcus granulosus aryl hydrocarbon receptor 0.0159 0.1087 0.2471
Brugia malayi RNA recognition motif domain containing protein 0.0193 0.1577 0.1577
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0393 0.4399 1
Loa Loa (eye worm) hypothetical protein 0.014 0.0817 0.0817
Onchocerca volvulus 0.0158 0.1078 1
Loa Loa (eye worm) hypothetical protein 0.0788 1 1
Leishmania major carnitine palmitoyltransferase-like protein 0.0188 0.1509 0.3132
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0393 0.4399 1
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0393 0.4399 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0393 0.4399 1
Loa Loa (eye worm) hypothetical protein 0.0259 0.2503 0.2503
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0139 0.0808 0.0808
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0188 0.1509 0.1509
Schistosoma mansoni tar DNA-binding protein 0.0193 0.1577 0.8494
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0259 0.2503 0.2503
Schistosoma mansoni tar DNA-binding protein 0.0193 0.1577 0.8494
Loa Loa (eye worm) choline O-acetyltransferase 0.0095 0.0191 0.0191
Schistosoma mansoni tar DNA-binding protein 0.0193 0.1577 0.8494

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.7306 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway measured by Nrf2-dependant transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS assay for environmental chemicals that activate the Aryl hydrocarbon Receptor (AhR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.2289 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of farnesoid X receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (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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