Detailed information for compound 1764146

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.476 | Formula: C24H25F3N4O3
  • H donors: 3 H acceptors: 4 LogP: 4.13 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(c1ccc(cc1)C(=O)NCCC(=O)O)Nc1ccc(cc1)n1cnc(c1)C(F)(F)F
  • InChi: 1S/C24H25F3N4O3/c1-2-3-20(16-4-6-17(7-5-16)23(34)28-13-12-22(32)33)30-18-8-10-19(11-9-18)31-14-21(29-15-31)24(25,26)27/h4-11,14-15,20,30H,2-3,12-13H2,1H3,(H,28,34)(H,32,33)
  • InChiKey: KOOPCTFMWRZFNU-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 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
Loa Loa (eye worm) hypothetical protein 0.006 0.2034 0.2034
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0135 1 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0135 1 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0135 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2034 0.2034
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0135 1 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0135 1 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0135 1 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0135 1 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0135 1 0.5
Brugia malayi Isocitrate dehydrogenase 0.0135 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0135 1 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0135 1 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2034 0.2034
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0135 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0135 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2034 0.2034
Loa Loa (eye worm) isocitrate dehydrogenase 0.0135 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0135 1 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0135 1 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0135 1 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0135 1 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0135 1 0.5

Activities

Activity type Activity value Assay description Source Reference
CL (ADMET) = 151 ml/min.kg Plasma clearance in mouse at 1 mg/kg, iv ChEMBL. 23562063
Kb (binding) = 4700 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) = 680 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.

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