Detailed information for compound 1707553

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.48 | Formula: C26H23N3O2
  • H donors: 1 H acceptors: 2 LogP: 5.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=CN(c2ccc(cc2)CC)C(=C(C1c1cccc2c1cccc2)C#N)N
  • InChi: 1S/C26H23N3O2/c1-3-17-11-13-19(14-12-17)29-16-23(26(30)31-2)24(22(15-27)25(29)28)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16,24H,3,28H2,1-2H3
  • InChiKey: MITRTOSJDPCAMC-UHFFFAOYSA-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 glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.025 0.1926
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.2083 0.2083
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0391 0.0391
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.025 0.025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.025 0.025
Echinococcus granulosus FTZ F1 alpha 0.0031 0.025 0.6403
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.025 0.6403
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0031 0.025 0.025
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.025 0.025
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.025 0.6403
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0391 0.3008
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.025 0.025
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.025 0.6403
Schistosoma mansoni thyroid hormone receptor 0.0031 0.025 0.1926
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0031 0.025 0.025
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.025 0.6403
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.025 0.025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.025 0.025
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.2083 0.2083
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.2083 0.2083
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.025 0.6403
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0 0.5
Brugia malayi steroid hormone receptor 0.0031 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.012 0.2083 0.2083
Loa Loa (eye worm) hypothetical protein 0.0031 0.025 0.025
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.025 0.6403
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0391 0.0391
Echinococcus multilocularis GPCR, family 2 0.0038 0.0391 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.025 0.1926
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.025 0.025
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.025 0.6403
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.025 0.6403
Schistosoma mansoni coup transcription factor 0.0031 0.025 0.1926
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.025 0.025
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.025 0.6403
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.13 0.13
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.025 0.025
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0391 1
Schistosoma mansoni hypothetical protein 0.0038 0.0391 0.3008
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.025 0.025
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.025 0.6403
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.025 0.1926
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.025 0.6403
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.025 0.1926
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.025 0.6403
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.025 0.6403
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0391 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.025 0.025
Schistosoma mansoni nuclear hormone receptor 0.0031 0.025 0.1926
Brugia malayi nuclear receptor NHR-88 0.0031 0.025 0.025
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.13 0.13
Loa Loa (eye worm) hypothetical protein 0.0031 0.025 0.025
Schistosoma mansoni hypothetical protein 0.0082 0.13 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0031 0.025 0.025
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.025 0.025
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.025 0.025
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.025 0.025
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.025 0.1926
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.025 0.025
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.025 0.025
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.025 0.025
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.025 0.6403
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.025 0.6403
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.025 0.1926
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.025 0.025
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.025 0.025
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0391 1
Loa Loa (eye worm) hypothetical protein 0.0506 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.025 0.025
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0391 1
Onchocerca volvulus Bile acid receptor homolog 0.0506 1 1
Echinococcus granulosus GPCR family 2 0.0038 0.0391 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.025 0.025
Schistosoma mansoni thyroid hormone receptor 0.0031 0.025 0.1926
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.025 0.1926
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.025 0.025
Schistosoma mansoni hypothetical protein 0.0038 0.0391 0.3008
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.025 0.6403
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.025 0.1926
Loa Loa (eye worm) hypothetical protein 0.0031 0.025 0.025
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.025 0.6403
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0391 0.3008
Brugia malayi nuclear hormone receptor 0.0031 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0031 0.025 0.025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.025 0.025
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.025 0.1926

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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