Detailed information for compound 1760471

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.441 | Formula: C20H22N8O2
  • H donors: 0 H acceptors: 6 LogP: 2.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cnccc1COc1cnc(nc1)N1CCN(CC1)c1noc(n1)C(C)C
  • InChi: 1S/C20H22N8O2/c1-14(2)18-25-20(26-30-18)28-7-5-27(6-8-28)19-23-11-17(12-24-19)29-13-15-3-4-22-10-16(15)9-21/h3-4,10-12,14H,5-8,13H2,1-2H3
  • InChiKey: TVBGGIHNBOONNF-UHFFFAOYSA-N  


Substructure search Similarity search

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 G protein-coupled receptor 119 Starlite/ChEMBL References
Mus musculus G-protein coupled receptor 119 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
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
Brugia malayi Pre-SET motif family protein 0.0238 0.2105 0.2926
Loa Loa (eye worm) calpain family protein 1 0.0053 0.026 0.1234
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0056 0.074
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0068 0.0908
Echinococcus multilocularis calpain family protein 1, d 0.0053 0.026 0.3463
Trypanosoma brucei cysteine peptidase C (CPC) 0.0034 0.0065 0.0255
Onchocerca volvulus 0.0045 0.0178 0.011
Echinococcus granulosus calpain A 0.0076 0.0484 0.6445
Trichomonas vaginalis set domain proteins, putative 0.0271 0.2434 1
Echinococcus granulosus cathepsin b 0.0102 0.075 1
Trypanosoma brucei telomerase reverse transcriptase 0.0281 0.2533 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.0281 0.2533 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0281 0.2533 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0034 0.0065 0.0255
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0281 0.2533 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0238 0.2105 1
Brugia malayi Telomerase reverse transcriptase 0.0747 0.7194 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0451 0.2141
Plasmodium falciparum telomerase reverse transcriptase 0.0281 0.2533 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0102 0.075 0.2962
Echinococcus multilocularis cathepsin b 0.0102 0.075 1
Leishmania major telomerase reverse transcriptase, putative 0.0281 0.2533 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0068 0.0323
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0102 0.075 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0076 0.0484 0.6445
Brugia malayi calpain family protein 1 0.0072 0.0451 0.0627
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0076 0.0484 0.6445
Loa Loa (eye worm) hypothetical protein 0.0102 0.075 0.3564
Loa Loa (eye worm) hypothetical protein 0.0045 0.0178 0.0844
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0068 0.0908
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0068 0.0014
Echinococcus multilocularis calpain A 0.0076 0.0484 0.6445
Loa Loa (eye worm) cathepsin B 0.0034 0.0065 0.0307
Giardia lamblia Telomerase catalytic subunit 0.0281 0.2533 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.026 0.1234
Echinococcus multilocularis cathepsin b 0.0102 0.075 1
Plasmodium vivax SET domain protein, putative 0.0034 0.0068 0.0269
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0072 0.0451 0.6008
Loa Loa (eye worm) hypothetical protein 0.0064 0.0369 0.1751
Brugia malayi calpain family protein 1 0.0072 0.0451 0.0627
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0076 0.0484 0.6445
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0034 0.0065 0.0862
Toxoplasma gondii RNA-directed DNA polymerase 0.0281 0.2533 1
Loa Loa (eye worm) calpain family protein 1 0.0072 0.0451 0.2141
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0068 0.0908
Echinococcus granulosus cathepsin b 0.0102 0.075 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0102 0.075 0.1043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0068 0.0908
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0102 0.075 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0076 0.0484 0.6445
Brugia malayi Pre-SET motif family protein 0.0034 0.0068 0.0095
Onchocerca volvulus 0.0271 0.2434 0.2382
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0102 0.075 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0068 0.0908
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0068 0.0908
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0068 0.0908
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0034 0.0065 0.0255
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0102 0.075 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.019 uM Agonist activity at human GPR119 overexpressed in HEK293S cells assessed as change in cAMP level after 45 mins by HTRF assay ChEMBL. 23628336
EC50 (binding) = 0.242 uM Agonist activity at mouse GPR119 overexpressed in HEK293S cells assessed as change in cAMP level after 45 mins by HTRF assay ChEMBL. 23628336
IC50 (binding) = 0.012 uM Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from human GPR119 overexpressed in baculovirus infected Sf21 cell membranes after 120 mins by scintillation counting analysis ChEMBL. 23628336
IC50 (binding) = 2.716 uM Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from mouse GPR119 overexpressed in baculovirus infected Sf21 cell membranes after 120 mins by scintillation counting analysis ChEMBL. 23628336
Intrinsic activity (binding) = 74 % Intrinsic activity at mouse GPR119 overexpressed in HEK293S cells assessed as change in cAMP level after 45 mins by HTRF assay relative to oleoylethanolamide ChEMBL. 23628336
Intrinsic activity (binding) = 167 % Intrinsic activity at human GPR119 overexpressed in HEK293S cells assessed as change in cAMP level after 45 mins by HTRF assay relative to oleoylethanolamide ChEMBL. 23628336

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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