Detailed information for compound 264729

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 514.88 | Formula: C26H18ClF3N2O4
  • H donors: 2 H acceptors: 2 LogP: 7 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc(c(c1)Cl)O)N/N=C/c1ccc(c2c1cccc2)OCc1ccc(cc1)OC(F)(F)F
  • InChi: 1S/C26H18ClF3N2O4/c27-22-13-17(7-11-23(22)33)25(34)32-31-14-18-8-12-24(21-4-2-1-3-20(18)21)35-15-16-5-9-19(10-6-16)36-26(28,29)30/h1-14,33H,15H2,(H,32,34)/b31-14+
  • InChiKey: QYYIKSJXCGARKE-XAZZYMPDSA-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 glucagon receptor Starlite/ChEMBL 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 receptor 477 aa 457 aa 25.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0451 0.0451
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0123 0.2977 0.5078
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0117 0.275 0.3275
Loa Loa (eye worm) hypothetical protein 0.0258 0.8398 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.275 0.3275
Brugia malayi jmjC domain containing protein 0.006 0.0451 0.1514
Echinococcus granulosus geminin 0.0171 0.4938 0.8424
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0194 0.5863 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.2977 0.3545
Loa Loa (eye worm) hypothetical protein 0.0258 0.8398 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0123 0.2977 0.5078
Loa Loa (eye worm) hypothetical protein 0.008 0.1268 0.151
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0123 0.2977 0.5078
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0268 0.0457
Loa Loa (eye worm) hypothetical protein 0.0055 0.0268 0.0319
Schistosoma mansoni pyruvate dehydrogenase 0.0116 0.2704 0.2704
Trypanosoma brucei developmentally regulated phosphoprotein 0.0123 0.2977 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0117 0.275 0.9238
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0451 0.0537
Loa Loa (eye worm) hypothetical protein 0.0258 0.8398 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0258 0.8398 1
Brugia malayi kinase, mitochondrial precursor 0.0123 0.2977 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0268 0.0457
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0268 0.0457
Schistosoma mansoni hypothetical protein 0.0171 0.4938 0.4938
Brugia malayi Calcitonin receptor-like protein seb-1 0.0117 0.275 0.9238
Brugia malayi latrophilin 2 splice variant baaae 0.008 0.1268 0.4259
Onchocerca volvulus 0.0048 0 0.5
Toxoplasma gondii hypothetical protein 0.0258 0.8398 1
Schistosoma mansoni pyruvate dehydrogenase 0.0123 0.2977 0.2977
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0123 0.2977 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0451 0.0451
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0451 0.0769
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0268 0.0457
Schistosoma mansoni jumonji domain containing protein 0.006 0.0451 0.0451
Schistosoma mansoni hypothetical protein 0.0171 0.4938 0.4938
Brugia malayi jmjC domain containing protein 0.006 0.0451 0.1514
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.0451 0.0769
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0194 0.5863 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.0451 0.0769
Echinococcus multilocularis geminin 0.0171 0.4938 0.8424
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0268 0.0899
Schistosoma mansoni hypothetical protein 0.008 0.1268 0.1268
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0268 0.0268
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.0451 0.0769
Loa Loa (eye worm) MBCTL1 0.0055 0.0268 0.0319
Leishmania major developmentally regulated phosphoprotein-like protein 0.0123 0.2977 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.0116 0.2704 0.2704

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12.9 nM In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK cells ChEMBL. 12477359
IC50 (binding) = 0.058 uM In vitro inhibitory activity against human glucagon receptor using [127I]-labeled glucagon ChEMBL. 11844695
IC50 (binding) = 0.058 uM In vitro inhibitory activity against human glucagon receptor using [127I]-labeled glucagon ChEMBL. 11844695
Metabolism (ADMET) 0 In vitro metabolic turnover in rat liver microsomes was determined; not determined ChEMBL. 12477359

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

2 literature references were collected for this gene.

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