Detailed information for compound 451765

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 196.248 | Formula: C13H12N2
  • H donors: 1 H acceptors: 1 LogP: 1.42 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1NCC(=C1)c1nccc2c1cccc2
  • InChi: 1S/C13H12N2/c1-2-4-12-10(3-1)6-8-15-13(12)11-5-7-14-9-11/h1-6,8,14H,7,9H2
  • InChiKey: UKGRZPYGEFVONX-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus twitchin 0.017 0.0461 0.0461
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0148 0.035 0.6472
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1989 0.9608 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0148 0.035 0.0364
Loa Loa (eye worm) hypothetical protein 0.0148 0.035 0.6472
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0148 0.035 0.6472
Loa Loa (eye worm) hypothetical protein 0.0148 0.035 0.6472
Loa Loa (eye worm) hypothetical protein 0.0173 0.0477 0.8811
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0148 0.035 0.6472
Echinococcus granulosus ecdysone induced protein 78C 0.0148 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0148 0.035 0.6472
Echinococcus granulosus Immunoglobulin 0.0167 0.0449 0.0449
Loa Loa (eye worm) hypothetical protein 0.0167 0.0449 0.8302
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0167 0.0449 0.0467
Echinococcus multilocularis neuroglian 0.017 0.0461 0.048
Loa Loa (eye worm) hypothetical protein 0.0167 0.0449 0.8302
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0148 0.035 0.6472
Echinococcus granulosus roundabout 2 0.0173 0.0477 0.0477
Schistosoma mansoni vesicular amine transporter 0.0167 0.0449 0.0449
Brugia malayi nuclear receptor NHR-88 0.0148 0.035 0.6472
Brugia malayi hypothetical protein 0.0167 0.0449 0.8302
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0148 0.035 0.035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0148 0.035 0.6472
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0148 0.035 0.035
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0148 0.035 0.6472
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0148 0.035 0.035
Schistosoma mansoni nephrin 0.017 0.0461 0.0461
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0148 0.035 0.035
Schistosoma mansoni nuclear hormone receptor 0.0148 0.035 0.035
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0148 0.035 0.6472
Schistosoma mansoni steroid hormone receptor ad4bp 0.0148 0.035 0.035
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0148 0.035 0.0364
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0148 0.035 0.0364
Echinococcus multilocularis FTZ F1 alpha 0.0148 0.035 0.0364
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0167 0.0449 0.0449
Loa Loa (eye worm) hypothetical protein 0.0167 0.0449 0.8302
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0148 0.035 0.0364
Brugia malayi Immunoglobulin I-set domain containing protein 0.0186 0.0541 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.035 0.6472
Echinococcus multilocularis Immunoglobulin 0.0167 0.0449 0.0467
Schistosoma mansoni cell adhesion molecule 0.017 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0167 0.0449 0.8302
Echinococcus granulosus defective proboscis extension response 0.0167 0.0449 0.0449
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0148 0.035 0.6472
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0148 0.035 0.035
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0148 0.035 0.6472
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0148 0.035 0.0364
Loa Loa (eye worm) hypothetical protein 0.0148 0.035 0.6472
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0148 0.035 0.6472
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0148 0.035 0.6472
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0148 0.035 0.6472
Echinococcus multilocularis roundabout 2 0.0173 0.0477 0.0496
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0574 0.2494 0.2494
Brugia malayi Steroid receptor seven-up type 2 0.0148 0.035 0.6472
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0148 0.035 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.0449 0.8302
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0148 0.035 0.035
Echinococcus granulosus neuroglian 0.017 0.0461 0.0461
Loa Loa (eye worm) hypothetical protein 0.017 0.0464 0.8587
Loa Loa (eye worm) hypothetical protein 0.0148 0.035 0.6472
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0148 0.035 0.035
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.017 0.0464 0.0464
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0186 0.0541 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0148 0.035 0.6472
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0148 0.035 0.6472
Onchocerca volvulus Bile acid receptor homolog 0.0148 0.035 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0148 0.035 0.6472
Schistosoma mansoni thyroid hormone receptor 0.0148 0.035 0.035
Schistosoma mansoni thyroid hormone receptor 0.0148 0.035 0.035
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0148 0.035 0.6472
Echinococcus granulosus FTZ F1 alpha 0.0148 0.035 0.035
Onchocerca volvulus Protein ultraspiracle homolog 0.0148 0.035 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0148 0.035 0.6472
Echinococcus multilocularis Immunoglobulin 0.0167 0.0449 0.0467
Schistosoma mansoni RAR-like nuclear receptor 0.0148 0.035 0.035
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0148 0.035 0.035
Brugia malayi ecdysteroid receptor 0.0148 0.035 0.6472
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0148 0.035 0.6472
Brugia malayi Nuclear hormone receptor-like 1 0.0148 0.035 0.6472
Brugia malayi Fibronectin type III domain containing protein 0.0167 0.0449 0.8302
Schistosoma mansoni coup transcription factor 0.0148 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0173 0.0477 0.8811
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0148 0.035 0.0364
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0148 0.035 0.035
Brugia malayi steroid hormone receptor 0.0148 0.035 0.6472
Brugia malayi Immunoglobulin I-set domain containing protein 0.0167 0.0449 0.8302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0148 0.035 0.6472
Brugia malayi photoreceptor-specific nuclear receptor 0.0148 0.035 0.6472
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0148 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0167 0.0449 0.8302
Loa Loa (eye worm) hypothetical protein 0.0148 0.035 0.6472
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0148 0.035 0.035
Schistosoma mansoni retinoic acid receptor RXR 0.2067 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.035 0.0364
Loa Loa (eye worm) steroid hormone receptor 0.0148 0.035 0.6472
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0148 0.035 0.0364
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0167 0.0449 0.0449
Brugia malayi nuclear hormone receptor 0.0148 0.035 0.6472
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0148 0.035 0.6472
Onchocerca volvulus 0.0148 0.035 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.035 0.6472
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0148 0.035 0.035

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of BPAO assessed as redox cycling activity by NBT assay ChEMBL. 17150363
IC50 (binding) = 0.86 uM Inhibition of BPAO after 20 mins by benzylamine assay ChEMBL. 17150363
Ratio (binding) = 40 /mM/min Ratio of kinact to Ki for BPAO ChEMBL. 17150363

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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