Detailed information for compound 930498

Basic information

Technical information
  • TDR Targets ID: 930498
  • Name: 4-iodo-N-[4-(morpholin-4-ylmethyl)phenyl]benz amide
  • MW: 422.26 | Formula: C18H19IN2O2
  • H donors: 1 H acceptors: 1 LogP: 2.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)I)Nc1ccc(cc1)CN1CCOCC1
  • InChi: 1S/C18H19IN2O2/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
  • InChiKey: DEPFVTXHGVSVCN-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-iodo-N-[4-(morpholinomethyl)phenyl]benzamide
  • Oprea1_065745

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens endothelial PAS domain protein 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074

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
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0116 0.0302 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0116 0.0302 0.0302
Brugia malayi hypoxia-induced factor 1 0.0182 0.0957 0.0957
Brugia malayi nuclear hormone receptor 0.0116 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0116 0.0302 0.0302
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0116 0.0302 1
Loa Loa (eye worm) hypothetical protein 0.1095 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0116 0.0302 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0116 0.0302 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0116 0.0302 0.0302
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0116 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0116 0.0302 0.0302
Echinococcus multilocularis thyroid hormone receptor alpha 0.0116 0.0302 1
Echinococcus multilocularis FTZ F1 alpha 0.0116 0.0302 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0116 0.0302 0.0302
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0116 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0116 0.0302 0.0302
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0116 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0116 0.0302 0.0302
Echinococcus multilocularis ecdysone induced protein 78C 0.0116 0.0302 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0116 0.0302 1
Schistosoma mansoni thyroid hormone receptor 0.0116 0.0302 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0116 0.0302 0.0302
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0116 0.0302 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0116 0.0302 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.0957 0.0957
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0116 0.0302 0.0302
Echinococcus granulosus FTZ F1 alpha 0.0116 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0116 0.0302 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0116 0.0302 0.0302
Loa Loa (eye worm) steroid hormone receptor 0.0116 0.0302 0.0302
Schistosoma mansoni nuclear hormone receptor 0.0116 0.0302 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.1108 0.1108
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0116 0.0302 0.0302
Schistosoma mansoni steroid hormone receptor ad4bp 0.0116 0.0302 1
Brugia malayi Steroid receptor seven-up type 2 0.0116 0.0302 0.0302
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0116 0.0302 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0116 0.0302 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0116 0.0302 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0116 0.0302 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0302 0.0302
Brugia malayi steroid hormone receptor 0.0116 0.0302 0.0302
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0116 0.0302 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0302 0.0302
Echinococcus granulosus ecdysone induced protein 78C 0.0116 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0116 0.0302 0.0302
Brugia malayi hypothetical protein 0.0197 0.1108 0.1108
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0116 0.0302 0.0302
Schistosoma mansoni RAR-like nuclear receptor 0.0116 0.0302 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0116 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0116 0.0302 0.0302
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0116 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0116 0.0302 0.0302
Schistosoma mansoni retinoic acid receptor RXR 0.0116 0.0302 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0116 0.0302 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0116 0.0302 0.0302
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0116 0.0302 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0116 0.0302 1
Schistosoma mansoni thyroid hormone receptor 0.0116 0.0302 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0116 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0116 0.0302 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0116 0.0302 0.0302
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0116 0.0302 1
Schistosoma mansoni coup transcription factor 0.0116 0.0302 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0116 0.0302 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0116 0.0302 0.0302
Onchocerca volvulus Bile acid receptor homolog 0.1095 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0302 0.0302
Brugia malayi Nuclear hormone receptor-like 1 0.0116 0.0302 0.0302
Brugia malayi nuclear receptor NHR-88 0.0116 0.0302 0.0302

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.5 uM Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay ChEMBL. 25139751

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

1 literature reference was collected for this gene.

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