Detailed information for compound 1848812

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 464.477 | Formula: C22H24N8O4
  • H donors: 0 H acceptors: 6 LogP: 0.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cnccc1COc1cnc(nc1)N1CCN(C[C@H]1C)c1noc(n1)C1COCCO1
  • InChi: 1S/C22H24N8O4/c1-15-12-29(22-27-20(34-28-22)19-14-31-6-7-32-19)4-5-30(15)21-25-10-18(11-26-21)33-13-16-2-3-24-9-17(16)8-23/h2-3,9-11,15,19H,4-7,12-14H2,1H3/t15-,19?/m1/s1
  • InChiKey: BDCALHIYMZXLRA-NYRJJRHWSA-N  

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 No references
Mus musculus G-protein coupled receptor 119 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
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 n acetylated alpha linked acidic dipeptidase 2 0.0148 0.5 0.5
Trypanosoma cruzi glutaminyl cyclase, putative 0.0148 0.5 0.5
Schistosoma mansoni Fxna peptidase (M28 family) 0.0148 0.5 0.5
Trypanosoma cruzi glutaminyl cyclase, putative 0.0148 0.5 0.5
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0148 0.5 0.5
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0148 0.5 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0148 0.5 0.5
Loa Loa (eye worm) leucyl aminopeptidase 0.0148 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.5 0.5
Brugia malayi nicalin 0.0148 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.5 0.5
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0148 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0148 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0148 0.5 0.5
Leishmania major glutaminyl cyclase, putative 0.0148 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0148 0.5 0.5
Onchocerca volvulus 0.0148 0.5 0.5
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0148 0.5 0.5
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0148 0.5 0.5
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0148 0.5 0.5
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0148 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.5 0.5
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0148 0.5 0.5
Schistosoma mansoni nicalin (M28 family) 0.0148 0.5 0.5
Toxoplasma gondii peptidase, M28 family protein 0.0148 0.5 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0148 0.5 0.5
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0148 0.5 0.5
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0148 0.5 0.5
Brugia malayi Peptidase family M28 containing protein 0.0148 0.5 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0148 0.5 0.5
Brugia malayi leucyl aminopeptidase 0.0148 0.5 0.5
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0148 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0148 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.0148 0.5 0.5
Trypanosoma brucei glutaminyl cyclase, putative 0.0148 0.5 0.5
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0148 0.5 0.5
Toxoplasma gondii hypothetical protein 0.0148 0.5 0.5
Onchocerca volvulus Glutaminyl cyclase homolog 0.0148 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.5 0.5
Mycobacterium tuberculosis Conserved protein 0.0148 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
CL (ADMET) = 26 microL/min/mg Intrinsic clearance in human liver microsomes measured ChEMBL. No reference
EC50 (functional) = 6.2 Agonist activity at mouse GPR119 transfected in HEK293 cells assessed as cAMP accumulation after 45 mins incubation by HTRF assay ChEMBL. No reference
EC50 (functional) = 7 Agonist activity at human GPR119 transfected in HEK293 cells assessed as cAMP accumulation after 45 mins incubation by HTRF assay ChEMBL. No reference
Intrinsic activity (functional) = 45 % Agonist activity at mouse GPR119 transfected in HEK293 cells assessed as cAMP accumulation after 45 mins incubation by HTRF assay relative to 50 uM oleoylethanolamide ChEMBL. No reference
Intrinsic activity (functional) = 279 % Agonist activity at human GPR119 transfected in HEK293 cells assessed as cAMP accumulation after 45 mins incubation by HTRF assay relative to 50 uM oleoylethanolamide 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.

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