Detailed information for compound 930964

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 515.605 | Formula: C32H29N5O2
  • H donors: 2 H acceptors: 3 LogP: 4.68 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc(cc1)CN1CCN(CC1)C(=O)c1cccnc1N)Nc1ccc(cc1)C#Cc1ccccc1
  • InChi: 1S/C32H29N5O2/c33-30-29(7-4-18-34-30)32(39)37-21-19-36(20-22-37)23-26-10-14-27(15-11-26)31(38)35-28-16-12-25(13-17-28)9-8-24-5-2-1-3-6-24/h1-7,10-18H,19-23H2,(H2,33,34)(H,35,38)
  • InChiKey: YPMOWWPVPPPBET-UHFFFAOYSA-N  

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 hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) References
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
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
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

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
Schistosoma mansoni thyroid hormone receptor 0.0158 0.0295 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0158 0.0295 0.0295
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0158 0.0295 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0158 0.0295 1
Schistosoma mansoni RAR-like nuclear receptor 0.0158 0.0295 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0158 0.0295 0.0295
Echinococcus granulosus FTZ F1 alpha 0.0158 0.0295 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0158 0.0295 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0158 0.0295 0.0295
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0158 0.0295 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0364 0.1784 0.1535
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0158 0.0295 0.0295
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0158 0.0295 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0158 0.0295 0.5
Brugia malayi hypothetical protein 0.0394 0.2006 0.2006
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0158 0.0295 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0158 0.0295 0.5
Loa Loa (eye worm) hypothetical protein 0.1497 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0158 0.0295 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0158 0.0295 0.5
Loa Loa (eye worm) hypothetical protein 0.0394 0.2006 0.1763
Brugia malayi nuclear hormone receptor 0.0158 0.0295 0.0295
Schistosoma mansoni thyroid hormone receptor 0.0158 0.0295 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0158 0.0295 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0158 0.0295 0.0295
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0158 0.0295 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0158 0.0295 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0158 0.0295 0.0295
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0158 0.0295 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0158 0.0295 0.0295
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0158 0.0295 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0158 0.0295 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0158 0.0295 0.0295
Echinococcus multilocularis FTZ F1 alpha 0.0158 0.0295 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0158 0.0295 0.0295
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0158 0.0295 0.0295
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0158 0.0295 0.5
Schistosoma mansoni nuclear hormone receptor 0.0158 0.0295 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0158 0.0295 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0158 0.0295 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0158 0.0295 0.0295
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0158 0.0295 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0158 0.0295 0.0295
Echinococcus multilocularis thyroid hormone receptor alpha 0.0158 0.0295 0.5
Onchocerca volvulus Bile acid receptor homolog 0.1497 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0158 0.0295 0.0295
Brugia malayi hypoxia-induced factor 1 0.0364 0.1784 0.1784
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0158 0.0295 0.0295
Brugia malayi nuclear receptor NHR-88 0.0158 0.0295 0.0295
Brugia malayi Steroid receptor seven-up type 2 0.0158 0.0295 0.0295
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0158 0.0295 0.0295
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0158 0.0295 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0158 0.0295 0.5
Schistosoma mansoni coup transcription factor 0.0158 0.0295 1
Schistosoma mansoni retinoic acid receptor RXR 0.0158 0.0295 1
Brugia malayi steroid hormone receptor 0.0158 0.0295 0.0295

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.021 uM Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay ChEMBL. 25139751
Survival (ADMET) = 50 day Toxicity in BALB/cA mouse xenografted with human U251 cells assessed as mouse survival at 50 mg/kg/day, po 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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