Detailed information for compound 1712058

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.31 | Formula: C18H14F4N2O
  • H donors: 2 H acceptors: 2 LogP: 3.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1ccc(c(c1)F)C)c1[nH]cc(n1)c1ccccc1C(F)(F)F
  • InChi: 1S/C18H14F4N2O/c1-10-6-7-11(8-14(10)19)16(25)17-23-9-15(24-17)12-4-2-3-5-13(12)18(20,21)22/h2-9,16,25H,1H3,(H,23,24)
  • InChiKey: FPVCKQQGDHQZQD-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 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
Loa Loa (eye worm) acetyltransferase 0.0145 0.4158 0.4158
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0779 0.0779
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.1096 1
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.1096 0.009
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.4158 0.4158
Loa Loa (eye worm) hypothetical protein 0.006 0.1359 0.1359
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1015 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0882 0.0882
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.1096 0.009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0882 0.0882
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1015 1
Entamoeba histolytica hypothetical protein 0.0322 1 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1015 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0145 0.0145
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0882 0.0882
Brugia malayi hypothetical protein 0.0131 0.3702 0.3702
Onchocerca volvulus Huntingtin homolog 0.0131 0.3702 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.1015 0.1015
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1359 0.1359
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0145 0.0145
Onchocerca volvulus Huntingtin homolog 0.0131 0.3702 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.4158 0.4158
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.1015 0.1015
Echinococcus granulosus mitogen activated protein kinase 0.005 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0131 0.3702 0.3702
Schistosoma mansoni hypothetical protein 0.0023 0.0145 0.0145
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.4158 0.4158
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.073 0.073
Brugia malayi hypothetical protein 0.0034 0.0485 0.0485
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0882 0.0882
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.1015 0.1015
Trypanosoma cruzi poly(ADP-ribose) glycohydrolase, putative 0.0322 1 1
Brugia malayi hypothetical protein 0.0052 0.1096 0.1096
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0882 0.0882
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.1015 0.0257
Entamoeba histolytica poly(ADP-ribose) glycohydrolase, putative 0.0143 0.4106 0.3688
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0882 0.0882
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1359 0.1359
Loa Loa (eye worm) Poly(ADP-ribose) glycohydrolase 0.0322 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0882 0.0882
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.1096 1
Trypanosoma brucei poly(ADP-ribose) glycohydrolase, putative 0.0322 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.4023 0.4023
Loa Loa (eye worm) hypothetical protein 0.0131 0.3702 0.3702
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1015 1
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.1015 0.1015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0882 0.0882
Leishmania major hypothetical protein, conserved 0.0052 0.1096 1
Toxoplasma gondii poly(ADP-ribose) glycohydrolase 0.0322 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1359 0.1359
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.1096 0.0344
Giardia lamblia Kinase, CMGC MAPK 0.005 0.1015 1
Trypanosoma cruzi poly(ADP-ribose) glycohydrolase, putative 0.0322 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.1096 1
Schistosoma mansoni serine/threonine protein kinase 0.005 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0041 0.073 0.073
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.1096 0.009
Brugia malayi MAP kinase sur-1 0.005 0.1015 0.1015
Schistosoma mansoni poly(ADP-ribose) glycohydrolase 0.0322 1 1
Toxoplasma gondii poly(ADP-ribose) glycohydrolase 0.0143 0.4106 0.3608
Entamoeba histolytica hypothetical protein 0.0143 0.4106 0.3688
Loa Loa (eye worm) hypothetical protein 0.0052 0.1096 0.1096
Entamoeba histolytica poly(ADP-ribose) glycohydrolase, putative 0.0322 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0882 0.0882
Echinococcus multilocularis poly(ADP ribose) glycohydrolase 0.0322 1 1
Echinococcus granulosus polyADP ribose glycohydrolase 0.0322 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.073 0.073

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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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