Detailed information for compound 1642320

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 465.546 | Formula: C23H24FN7OS
  • H donors: 0 H acceptors: 5 LogP: 3.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)nc(s2)CN1CCC(CC1)N(C(=O)Cc1ccc(cc1)n1cnnn1)C
  • InChi: 1S/C23H24FN7OS/c1-29(23(32)12-16-2-5-19(6-3-16)31-15-25-27-28-31)18-8-10-30(11-9-18)14-22-26-20-13-17(24)4-7-21(20)33-22/h2-7,13,15,18H,8-12,14H2,1H3
  • InChiKey: RDSUNKJPRRBDOJ-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 G protein-coupled receptor 119 Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi follicle stimulating hormone receptor G protein-coupled receptor 119 335 aa 274 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2074 0.3897 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0071 0.0173
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0071 0.0173
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.5311 1 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0003 0.0003
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2074 0.3897 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.5311 1 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.5311 1 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0065 0.0159
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0003 0.0003
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.5311 1 0.5
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.5311 1 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0003 0.0003
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.5311 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0009 0.0003 0.0003
Brugia malayi Zinc finger, C2H2 type family protein 0.2074 0.3897 0.3895
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2074 0.3897 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0078 0.0078
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.5311 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0011 0.002
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0078 0.0078
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.5311 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2074 0.3897 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.5311 1 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0011 0.002
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.5311 1 0.5
Leishmania major dihydroorotate dehydrogenase 0.5311 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0011 0.1145
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.2074 0.3897 0.5
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0011 0.002
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0011 0.0011
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0003 0.0003
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2074 0.3897 1
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.2074 0.3897 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.006 0.8354
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.5311 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0071 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0003 0.0003
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0011 0.0008
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0071 0.0067
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0011 0.0011
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.5311 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0065 0.0159
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0011 0.002
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2074 0.3897 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.5311 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2074 0.3897 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2074 0.3897 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2074 0.3897 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antidiabetic activity in wild type C57BL6/J mouse assessed as decrease in AUC of blood glucose level at 30 mg/kg, po administered 30 mins before glucose challenge measured for 90 mins by oral glucose tolerance test ChEMBL. 22061639
Activity (functional) Antidiabetic activity in GPR119 knock out C57BL6/J mouse assessed as decrease in AUC of blood glucose level at 30 mg/kg, po administered 30 mins before glucose challenge measured for 90 mins by oral glucose tolerance test ChEMBL. 22061639
Activity (binding) < 10 % Activity at CCR5 receptor at 30 uM ChEMBL. 22061639
Activity (functional) = 85 % Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay relative to oleoylethanolamide ChEMBL. 22061639
EC50 (functional) = 0.076 uM Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay ChEMBL. 22061639
IC50 (binding) = 1.3 uM Binding affinity to human ERG ChEMBL. 22061639

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.