Detailed information for compound 1709831

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 533.443 | Formula: C27H30Cl2N2O5
  • H donors: 1 H acceptors: 3 LogP: 4.2 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)[C@@]12CCCC=C2N(C(=O)[C@@H](C1)CC(=O)NCc1ccc(o1)C)Cc1ccc(cc1Cl)Cl
  • InChi: 1S/C27H30Cl2N2O5/c1-3-35-26(34)27-11-5-4-6-23(27)31(16-18-8-9-20(28)13-22(18)29)25(33)19(14-27)12-24(32)30-15-21-10-7-17(2)36-21/h6-10,13,19H,3-5,11-12,14-16H2,1-2H3,(H,30,32)/t19-,27+/m1/s1
  • InChiKey: VEKPXHKXLVVVFX-WINIVTDRSA-N  

Network

Hover on a compound node to display the structore

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
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.5454 0.5454
Loa Loa (eye worm) hypothetical protein 0.0042 0.5454 0.5454
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0042 0.5454 0.9398
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0042 0.5454 0.9398
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0042 0.5454 0.9398
Onchocerca volvulus Bile acid receptor homolog 0.0042 0.5454 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.5454 0.5454
Loa Loa (eye worm) hypothetical protein 0.0042 0.5454 0.5454
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.5454 0.5454
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0042 0.5454 0.5454
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0042 0.5454 0.5454
Brugia malayi photoreceptor-specific nuclear receptor 0.0042 0.5454 0.5454
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5295 0.5295
Onchocerca volvulus Protein ultraspiracle homolog 0.0042 0.5454 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0042 0.5454 0.9398
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0043 0.5803 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0042 0.5454 0.5454
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0584 0.0584
Brugia malayi Nuclear hormone receptor-like 1 0.0042 0.5454 0.5454
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0042 0.5454 0.9398
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0042 0.5454 0.5454
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0042 0.5454 0.5454
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0042 0.5454 0.9398
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0042 0.5454 0.9398
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0042 0.5454 0.5454
Loa Loa (eye worm) hypothetical protein 0.0022 0.0584 0.0584
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0043 0.5803 1
Echinococcus granulosus voltage dependent calcium channel 0.0043 0.5803 1
Schistosoma mansoni hypothetical protein 0.0041 0.5295 0.9125
Loa Loa (eye worm) hypothetical protein 0.0043 0.5803 0.5803
Brugia malayi nuclear receptor NHR-88 0.0042 0.5454 0.5454
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0043 0.5803 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0022 0.0584 0.1006
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0043 0.5803 0.5803
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0022 0.0584 0.0584
Loa Loa (eye worm) calcium channel 0.0043 0.5803 0.5803
Echinococcus granulosus FTZ F1 alpha 0.0042 0.5454 0.9398
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0042 0.5454 0.9398
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0042 0.5454 0.5454
Loa Loa (eye worm) hypothetical protein 0.0042 0.5454 0.5454
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0042 0.5454 0.9398
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0042 0.5454 0.5454
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0042 0.5454 0.9398
Echinococcus multilocularis voltage dependent calcium channel 0.0043 0.5803 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0042 0.5454 0.5454
Schistosoma mansoni coup transcription factor 0.0042 0.5454 0.9398
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0042 0.5454 0.5454
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0042 0.5454 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0042 0.5454 0.9398
Loa Loa (eye worm) hypothetical protein 0.0022 0.0584 0.0584
Loa Loa (eye worm) hypothetical protein 0.0022 0.0584 0.0584
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0042 0.5454 0.9398
Brugia malayi steroid hormone receptor 0.0042 0.5454 0.5454
Schistosoma mansoni thyroid hormone receptor 0.0042 0.5454 0.9398
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.5454 0.9398
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0043 0.5803 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0022 0.0584 0.1006
Loa Loa (eye worm) hypothetical protein 0.0042 0.5454 0.5454
Schistosoma mansoni thyroid hormone receptor 0.0042 0.5454 0.9398
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.5454 0.5454
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.5454 0.9398
Schistosoma mansoni voltage-gated cation channel 0.0043 0.5803 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0043 0.5803 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0042 0.5454 0.9398
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.5454 0.9398
Loa Loa (eye worm) steroid hormone receptor 0.0042 0.5454 0.5454
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0042 0.5454 0.5454
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0042 0.5454 0.9398
Brugia malayi hypothetical protein 0.0022 0.0584 0.0584
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0584 0.0584
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.5454 0.5454
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0042 0.5454 0.5454
Echinococcus multilocularis FTZ F1 alpha 0.0042 0.5454 0.9398
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0043 0.5803 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0042 0.5454 0.5454
Loa Loa (eye worm) hypothetical protein 0.0042 0.5454 0.5454
Brugia malayi hypothetical protein 0.0022 0.0584 0.0584
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0042 0.5454 0.9398
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.5454 0.9398
Echinococcus multilocularis ecdysone induced protein 78C 0.0042 0.5454 0.9398
Brugia malayi ecdysteroid receptor 0.0042 0.5454 0.5454
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.5454 0.5454
Echinococcus multilocularis thyroid hormone receptor alpha 0.0042 0.5454 0.9398
Brugia malayi nuclear hormone receptor 0.0042 0.5454 0.5454
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0584 0.1006
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0043 0.5803 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.5454 0.5454
Schistosoma mansoni nuclear hormone receptor 0.0042 0.5454 0.9398
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0043 0.5803 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.5454 0.5454
Loa Loa (eye worm) hypothetical protein 0.0041 0.5295 0.5295
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0042 0.5454 0.5454
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0043 0.5803 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0022 0.0584 0.1006
Schistosoma mansoni RAR-like nuclear receptor 0.0042 0.5454 0.9398
Loa Loa (eye worm) hypothetical protein 0.0022 0.0584 0.0584
Echinococcus granulosus ecdysone induced protein 78C 0.0042 0.5454 0.9398
Echinococcus multilocularis voltage dependent calcium channel 0.0043 0.5803 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.5454 0.5454
Loa Loa (eye worm) hypothetical protein 0.0022 0.0584 0.0584
Brugia malayi nuclear receptor RXR 0.0022 0.0584 0.0584
Onchocerca volvulus 0.0042 0.5454 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0042 0.5454 0.9398
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0042 0.5454 0.5454
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0042 0.5454 0.9398

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.