Detailed information for compound 1764162

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 473.444 | Formula: C24H22F3N3O4
  • H donors: 2 H acceptors: 4 LogP: 3.8 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCNC(=O)c1ccc(cc1)C(C1CC1)Oc1ccc(cc1)n1ncc(c1)C(F)(F)F
  • InChi: 1S/C24H22F3N3O4/c25-24(26,27)18-13-29-30(14-18)19-7-9-20(10-8-19)34-22(15-1-2-15)16-3-5-17(6-4-16)23(33)28-12-11-21(31)32/h3-10,13-15,22H,1-2,11-12H2,(H,28,33)(H,31,32)
  • InChiKey: HKLKMEZSUSCBQF-UHFFFAOYSA-N  


Substructure search Similarity search

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 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
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0176 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2627 0.2627
Trypanosoma brucei Casein kinase II 0.0075 0.3558 0.5
Echinococcus granulosus casein kinase ii subunit alpha 0.0075 0.3558 0.3558
Leishmania major casein kinase II, putative 0.0075 0.3558 0.5
Brugia malayi Casein kinase II, alpha chain 0.0075 0.3558 0.3558
Schistosoma mansoni hypothetical protein 0.0041 0.1411 0.1411
Schistosoma mansoni serine/threonine protein kinase 0.0176 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1411 0.1411
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0176 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1411 0.1411
Entamoeba histolytica protein kinase domain containing protein 0.0075 0.3558 0.5
Trypanosoma cruzi casein kinase II, putative 0.0075 0.3558 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0075 0.3558 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0075 0.3558 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0075 0.3558 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0075 0.3558 0.5
Plasmodium vivax unspecified product 0.0075 0.3558 0.5
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0075 0.3558 0.3558
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0176 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0176 1 1
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0176 1 1
Loa Loa (eye worm) CAMK/CAMKL/PASK protein kinase 0.0095 0.4873 0.4873
Trichomonas vaginalis CMGC family protein kinase 0.0075 0.3558 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2627 0.2627
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2627 0.2627
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0176 1 1
Plasmodium falciparum casein kinase 2, alpha subunit 0.0075 0.3558 0.5
Echinococcus multilocularis casein kinase ii subunit alpha 0.0075 0.3558 0.3558
Loa Loa (eye worm) hypothetical protein 0.006 0.2627 0.2627
Toxoplasma gondii CMGC kinase, CK2 family 0.0075 0.3558 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0075 0.3558 0.5
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0075 0.3558 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0075 0.3558 0.5
Giardia lamblia Kinase, CMGC CK2 0.0075 0.3558 0.5
Entamoeba histolytica casein kinase, putative 0.0075 0.3558 0.5
Schistosoma mansoni protein kinase 0.0075 0.3558 0.3558

Activities

Activity type Activity value Assay description Source Reference
Kb (binding) = 15000 nM Antagonist activity at human glucagon receptor assessed as inhibition of glucagon-induced cAMP production by cell based assay in presence of 4% bovine serum albumin ChEMBL. 23562063
Ki (binding) = 1300 nM Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin ChEMBL. 23562063

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.

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